USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 829 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 CYS SG : rot 6:sc= -0.256 USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= 0.0189 USER MOD Set 2.1: A 3 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -3.35! X(o=-3.4!,f=-3.6) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -2.78! C(o=-2.8!,f=-8.8!) USER MOD Single : A 33 TYR OH : rot 120:sc= -0.207 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -2.17 K(o=-2.2,f=-4.6!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -1.14 K(o=-1.1,f=-0.34) USER MOD Single : A 47 ASN : amide:sc= -0.365 K(o=-0.36,f=-5.5!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 178:sc= 0.0394 (180deg=0.0386) USER MOD Single : A 60 GLN : amide:sc= -0.242 K(o=-0.24,f=-2.8!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -154:sc= 0.411 (180deg=0.156) USER MOD Single : A 71 SER OG : rot -90:sc= -0.828 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0.0193 USER MOD Single : A 75 GLN : amide:sc= -0.0315 K(o=-0.032,f=-1.3) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -146:sc= -0.0197 (180deg=-1.09) USER MOD Single : A 86 LYS NZ :NH3+ -151:sc= -0.161 (180deg=-0.771) USER MOD Single : A 92 ASN : amide:sc= -0.786 K(o=-0.79,f=-4.9!) USER MOD Single : A 94 GLN : amide:sc= -1.37 K(o=-1.4,f=-2.3) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 12:sc= 1.21 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.681 26.542 -7.676 1.00 0.00 N ATOM 2 CA GLY A 1 -22.537 27.123 -6.658 1.00 0.00 C ATOM 3 C GLY A 1 -21.752 27.655 -5.476 1.00 0.00 C ATOM 4 O GLY A 1 -21.819 27.103 -4.378 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.265 26.193 -8.463 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.021 27.265 -8.029 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.143 25.752 -7.267 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.120 27.932 -7.097 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.246 26.371 -6.311 1.00 0.00 H new ATOM 8 N SER A 2 -21.003 28.730 -5.700 1.00 0.00 N ATOM 9 CA SER A 2 -20.197 29.334 -4.645 1.00 0.00 C ATOM 10 C SER A 2 -19.119 28.368 -4.165 1.00 0.00 C ATOM 11 O SER A 2 -18.847 28.268 -2.969 1.00 0.00 O ATOM 12 CB SER A 2 -21.085 29.751 -3.471 1.00 0.00 C ATOM 13 OG SER A 2 -21.585 31.064 -3.651 1.00 0.00 O ATOM 0 H SER A 2 -20.937 29.201 -6.603 1.00 0.00 H new ATOM 0 HA SER A 2 -19.710 30.219 -5.055 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.916 29.052 -3.373 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.515 29.700 -2.543 1.00 0.00 H new ATOM 0 HG SER A 2 -22.151 31.306 -2.888 1.00 0.00 H new ATOM 19 N SER A 3 -18.508 27.657 -5.107 1.00 0.00 N ATOM 20 CA SER A 3 -17.461 26.695 -4.782 1.00 0.00 C ATOM 21 C SER A 3 -16.223 26.927 -5.641 1.00 0.00 C ATOM 22 O SER A 3 -16.325 27.196 -6.837 1.00 0.00 O ATOM 23 CB SER A 3 -17.973 25.267 -4.979 1.00 0.00 C ATOM 24 OG SER A 3 -17.252 24.351 -4.173 1.00 0.00 O ATOM 0 H SER A 3 -18.720 27.729 -6.102 1.00 0.00 H new ATOM 0 HA SER A 3 -17.186 26.834 -3.736 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.033 25.220 -4.729 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.880 24.985 -6.028 1.00 0.00 H new ATOM 0 HG SER A 3 -17.599 23.446 -4.316 1.00 0.00 H new ATOM 30 N GLY A 4 -15.051 26.821 -5.021 1.00 0.00 N ATOM 31 CA GLY A 4 -13.809 27.023 -5.744 1.00 0.00 C ATOM 32 C GLY A 4 -13.551 25.936 -6.769 1.00 0.00 C ATOM 33 O GLY A 4 -14.297 25.799 -7.739 1.00 0.00 O ATOM 0 H GLY A 4 -14.940 26.599 -4.032 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.837 27.991 -6.245 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.981 27.054 -5.036 1.00 0.00 H new ATOM 37 N SER A 5 -12.492 25.162 -6.556 1.00 0.00 N ATOM 38 CA SER A 5 -12.135 24.086 -7.472 1.00 0.00 C ATOM 39 C SER A 5 -12.406 22.723 -6.842 1.00 0.00 C ATOM 40 O SER A 5 -11.712 22.307 -5.914 1.00 0.00 O ATOM 41 CB SER A 5 -10.661 24.193 -7.869 1.00 0.00 C ATOM 42 OG SER A 5 -10.403 23.484 -9.068 1.00 0.00 O ATOM 0 H SER A 5 -11.866 25.260 -5.757 1.00 0.00 H new ATOM 0 HA SER A 5 -12.752 24.183 -8.365 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.391 25.241 -7.997 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.036 23.799 -7.068 1.00 0.00 H new ATOM 0 HG SER A 5 -9.455 23.569 -9.301 1.00 0.00 H new ATOM 48 N SER A 6 -13.420 22.033 -7.353 1.00 0.00 N ATOM 49 CA SER A 6 -13.787 20.718 -6.838 1.00 0.00 C ATOM 50 C SER A 6 -13.957 19.717 -7.977 1.00 0.00 C ATOM 51 O SER A 6 -14.947 19.753 -8.706 1.00 0.00 O ATOM 52 CB SER A 6 -15.079 20.808 -6.025 1.00 0.00 C ATOM 53 OG SER A 6 -14.967 21.774 -4.994 1.00 0.00 O ATOM 0 H SER A 6 -14.002 22.362 -8.123 1.00 0.00 H new ATOM 0 HA SER A 6 -12.982 20.371 -6.190 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.909 21.068 -6.682 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.308 19.834 -5.592 1.00 0.00 H new ATOM 0 HG SER A 6 -15.807 21.813 -4.490 1.00 0.00 H new ATOM 59 N GLY A 7 -12.983 18.824 -8.122 1.00 0.00 N ATOM 60 CA GLY A 7 -13.043 17.825 -9.173 1.00 0.00 C ATOM 61 C GLY A 7 -12.017 16.725 -8.987 1.00 0.00 C ATOM 62 O GLY A 7 -12.369 15.584 -8.684 1.00 0.00 O ATOM 0 H GLY A 7 -12.153 18.774 -7.531 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.041 17.387 -9.197 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.884 18.307 -10.138 1.00 0.00 H new ATOM 66 N LEU A 8 -10.747 17.065 -9.169 1.00 0.00 N ATOM 67 CA LEU A 8 -9.666 16.097 -9.020 1.00 0.00 C ATOM 68 C LEU A 8 -9.542 15.638 -7.571 1.00 0.00 C ATOM 69 O LEU A 8 -9.311 14.460 -7.300 1.00 0.00 O ATOM 70 CB LEU A 8 -8.343 16.703 -9.491 1.00 0.00 C ATOM 71 CG LEU A 8 -7.322 15.721 -10.068 1.00 0.00 C ATOM 72 CD1 LEU A 8 -7.060 14.587 -9.089 1.00 0.00 C ATOM 73 CD2 LEU A 8 -7.804 15.175 -11.404 1.00 0.00 C ATOM 0 H LEU A 8 -10.440 18.005 -9.420 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.901 15.230 -9.637 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.561 17.456 -10.248 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.884 17.221 -8.649 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.386 16.254 -10.233 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.331 13.898 -9.517 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.670 14.994 -8.156 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.990 14.054 -8.892 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.065 14.478 -11.800 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.753 14.657 -11.264 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.939 15.998 -12.106 1.00 0.00 H new ATOM 85 N ALA A 9 -9.698 16.576 -6.643 1.00 0.00 N ATOM 86 CA ALA A 9 -9.607 16.268 -5.221 1.00 0.00 C ATOM 87 C ALA A 9 -10.763 15.377 -4.778 1.00 0.00 C ATOM 88 O ALA A 9 -10.552 14.324 -4.178 1.00 0.00 O ATOM 89 CB ALA A 9 -9.583 17.550 -4.403 1.00 0.00 C ATOM 0 H ALA A 9 -9.888 17.556 -6.851 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.677 15.725 -5.051 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.515 17.304 -3.343 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.720 18.150 -4.692 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.497 18.116 -4.586 1.00 0.00 H new ATOM 95 N GLU A 10 -11.984 15.808 -5.078 1.00 0.00 N ATOM 96 CA GLU A 10 -13.174 15.049 -4.708 1.00 0.00 C ATOM 97 C GLU A 10 -12.935 13.551 -4.872 1.00 0.00 C ATOM 98 O GLU A 10 -13.201 12.765 -3.961 1.00 0.00 O ATOM 99 CB GLU A 10 -14.368 15.483 -5.561 1.00 0.00 C ATOM 100 CG GLU A 10 -15.006 16.782 -5.098 1.00 0.00 C ATOM 101 CD GLU A 10 -15.844 16.608 -3.847 1.00 0.00 C ATOM 102 OE1 GLU A 10 -15.333 16.025 -2.868 1.00 0.00 O ATOM 103 OE2 GLU A 10 -17.011 17.053 -3.847 1.00 0.00 O ATOM 0 H GLU A 10 -12.176 16.678 -5.576 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.393 15.252 -3.660 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.043 15.596 -6.595 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -15.120 14.694 -5.547 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.225 17.518 -4.908 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -15.631 17.180 -5.897 1.00 0.00 H new ATOM 110 N LEU A 11 -12.434 13.162 -6.038 1.00 0.00 N ATOM 111 CA LEU A 11 -12.160 11.757 -6.323 1.00 0.00 C ATOM 112 C LEU A 11 -11.124 11.197 -5.354 1.00 0.00 C ATOM 113 O LEU A 11 -11.212 10.044 -4.932 1.00 0.00 O ATOM 114 CB LEU A 11 -11.668 11.595 -7.763 1.00 0.00 C ATOM 115 CG LEU A 11 -12.749 11.352 -8.817 1.00 0.00 C ATOM 116 CD1 LEU A 11 -14.060 11.997 -8.397 1.00 0.00 C ATOM 117 CD2 LEU A 11 -12.301 11.883 -10.171 1.00 0.00 C ATOM 0 H LEU A 11 -12.209 13.799 -6.802 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.088 11.199 -6.197 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.114 12.492 -8.040 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -10.964 10.763 -7.794 1.00 0.00 H new ATOM 0 HG LEU A 11 -12.909 10.277 -8.904 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.817 11.813 -9.160 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -14.389 11.570 -7.450 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.916 13.071 -8.280 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -13.082 11.702 -10.909 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.112 12.954 -10.098 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.387 11.374 -10.477 1.00 0.00 H new ATOM 129 N PHE A 12 -10.143 12.022 -5.002 1.00 0.00 N ATOM 130 CA PHE A 12 -9.091 11.610 -4.081 1.00 0.00 C ATOM 131 C PHE A 12 -9.671 11.258 -2.715 1.00 0.00 C ATOM 132 O PHE A 12 -9.132 10.414 -1.999 1.00 0.00 O ATOM 133 CB PHE A 12 -8.048 12.721 -3.934 1.00 0.00 C ATOM 134 CG PHE A 12 -6.977 12.408 -2.929 1.00 0.00 C ATOM 135 CD1 PHE A 12 -7.151 12.723 -1.591 1.00 0.00 C ATOM 136 CD2 PHE A 12 -5.796 11.799 -3.322 1.00 0.00 C ATOM 137 CE1 PHE A 12 -6.166 12.437 -0.664 1.00 0.00 C ATOM 138 CE2 PHE A 12 -4.808 11.511 -2.400 1.00 0.00 C ATOM 139 CZ PHE A 12 -4.994 11.829 -1.069 1.00 0.00 C ATOM 0 H PHE A 12 -10.055 12.980 -5.341 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.611 10.722 -4.492 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -7.584 12.903 -4.903 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.550 13.644 -3.643 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -8.066 13.197 -1.269 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.646 11.546 -4.361 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.313 12.689 0.376 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.891 11.038 -2.720 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.224 11.603 -0.346 1.00 0.00 H new ATOM 149 N GLU A 13 -10.773 11.911 -2.360 1.00 0.00 N ATOM 150 CA GLU A 13 -11.426 11.667 -1.079 1.00 0.00 C ATOM 151 C GLU A 13 -12.277 10.402 -1.134 1.00 0.00 C ATOM 152 O GLU A 13 -12.211 9.556 -0.242 1.00 0.00 O ATOM 153 CB GLU A 13 -12.296 12.864 -0.689 1.00 0.00 C ATOM 154 CG GLU A 13 -11.582 14.200 -0.809 1.00 0.00 C ATOM 155 CD GLU A 13 -12.140 15.246 0.136 1.00 0.00 C ATOM 156 OE1 GLU A 13 -11.854 15.164 1.349 1.00 0.00 O ATOM 157 OE2 GLU A 13 -12.863 16.148 -0.338 1.00 0.00 O ATOM 0 H GLU A 13 -11.232 12.613 -2.941 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.651 11.530 -0.325 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.184 12.878 -1.321 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.637 12.735 0.338 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.521 14.060 -0.604 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.664 14.561 -1.834 1.00 0.00 H new ATOM 164 N LYS A 14 -13.077 10.279 -2.188 1.00 0.00 N ATOM 165 CA LYS A 14 -13.942 9.118 -2.362 1.00 0.00 C ATOM 166 C LYS A 14 -13.125 7.879 -2.713 1.00 0.00 C ATOM 167 O LYS A 14 -13.195 6.862 -2.023 1.00 0.00 O ATOM 168 CB LYS A 14 -14.977 9.387 -3.457 1.00 0.00 C ATOM 169 CG LYS A 14 -15.925 10.529 -3.131 1.00 0.00 C ATOM 170 CD LYS A 14 -16.773 10.909 -4.333 1.00 0.00 C ATOM 171 CE LYS A 14 -16.076 11.944 -5.202 1.00 0.00 C ATOM 172 NZ LYS A 14 -17.038 12.680 -6.068 1.00 0.00 N ATOM 0 H LYS A 14 -13.144 10.970 -2.935 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.458 8.936 -1.419 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.458 9.612 -4.389 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.558 8.481 -3.627 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.573 10.240 -2.304 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.352 11.395 -2.800 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.986 10.019 -4.925 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -17.731 11.303 -3.994 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.544 12.652 -4.567 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.330 11.452 -5.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.524 13.376 -6.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.528 12.008 -6.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -17.735 13.171 -5.473 1.00 0.00 H new ATOM 186 N ALA A 15 -12.350 7.972 -3.789 1.00 0.00 N ATOM 187 CA ALA A 15 -11.518 6.860 -4.229 1.00 0.00 C ATOM 188 C ALA A 15 -10.879 6.149 -3.041 1.00 0.00 C ATOM 189 O ALA A 15 -10.771 4.923 -3.023 1.00 0.00 O ATOM 190 CB ALA A 15 -10.446 7.351 -5.191 1.00 0.00 C ATOM 0 H ALA A 15 -12.282 8.806 -4.372 1.00 0.00 H new ATOM 0 HA ALA A 15 -12.156 6.144 -4.748 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.832 6.510 -5.512 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.919 7.807 -6.061 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.818 8.088 -4.691 1.00 0.00 H new ATOM 196 N ALA A 16 -10.455 6.926 -2.050 1.00 0.00 N ATOM 197 CA ALA A 16 -9.828 6.370 -0.857 1.00 0.00 C ATOM 198 C ALA A 16 -10.715 5.310 -0.213 1.00 0.00 C ATOM 199 O ALA A 16 -10.243 4.239 0.166 1.00 0.00 O ATOM 200 CB ALA A 16 -9.516 7.477 0.140 1.00 0.00 C ATOM 0 H ALA A 16 -10.534 7.943 -2.050 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.895 5.892 -1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -9.048 7.048 1.026 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.836 8.197 -0.316 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.440 7.981 0.425 1.00 0.00 H new ATOM 206 N ALA A 17 -12.003 5.617 -0.093 1.00 0.00 N ATOM 207 CA ALA A 17 -12.956 4.690 0.504 1.00 0.00 C ATOM 208 C ALA A 17 -13.082 3.419 -0.330 1.00 0.00 C ATOM 209 O ALA A 17 -13.436 2.358 0.185 1.00 0.00 O ATOM 210 CB ALA A 17 -14.314 5.357 0.661 1.00 0.00 C ATOM 0 H ALA A 17 -12.410 6.500 -0.401 1.00 0.00 H new ATOM 0 HA ALA A 17 -12.584 4.411 1.490 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -15.016 4.653 1.108 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -14.218 6.231 1.305 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.683 5.665 -0.317 1.00 0.00 H new ATOM 216 N HIS A 18 -12.792 3.534 -1.622 1.00 0.00 N ATOM 217 CA HIS A 18 -12.873 2.394 -2.529 1.00 0.00 C ATOM 218 C HIS A 18 -11.647 1.497 -2.385 1.00 0.00 C ATOM 219 O HIS A 18 -11.736 0.278 -2.534 1.00 0.00 O ATOM 220 CB HIS A 18 -13.002 2.873 -3.975 1.00 0.00 C ATOM 221 CG HIS A 18 -13.780 1.938 -4.849 1.00 0.00 C ATOM 222 ND1 HIS A 18 -14.847 1.194 -4.392 1.00 0.00 N ATOM 223 CD2 HIS A 18 -13.641 1.629 -6.159 1.00 0.00 C ATOM 224 CE1 HIS A 18 -15.330 0.467 -5.384 1.00 0.00 C ATOM 225 NE2 HIS A 18 -14.616 0.713 -6.467 1.00 0.00 N ATOM 0 H HIS A 18 -12.499 4.405 -2.065 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.758 1.815 -2.266 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.484 3.851 -3.983 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.005 3.005 -4.395 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -12.901 2.029 -6.836 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -16.167 -0.213 -5.320 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -14.765 0.291 -7.384 1.00 0.00 H new ATOM 234 N LEU A 19 -10.504 2.109 -2.095 1.00 0.00 N ATOM 235 CA LEU A 19 -9.259 1.366 -1.931 1.00 0.00 C ATOM 236 C LEU A 19 -9.470 0.138 -1.051 1.00 0.00 C ATOM 237 O LEU A 19 -9.008 -0.956 -1.376 1.00 0.00 O ATOM 238 CB LEU A 19 -8.182 2.265 -1.322 1.00 0.00 C ATOM 239 CG LEU A 19 -6.740 1.947 -1.718 1.00 0.00 C ATOM 240 CD1 LEU A 19 -5.765 2.780 -0.900 1.00 0.00 C ATOM 241 CD2 LEU A 19 -6.453 0.463 -1.542 1.00 0.00 C ATOM 0 H LEU A 19 -10.413 3.117 -1.969 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.931 1.033 -2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.396 3.296 -1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.261 2.208 -0.236 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.609 2.200 -2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.744 2.540 -1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.954 3.839 -1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.897 2.559 0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.422 0.255 -1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.603 0.185 -0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.128 -0.115 -2.172 1.00 0.00 H new ATOM 253 N GLN A 20 -10.171 0.327 0.062 1.00 0.00 N ATOM 254 CA GLN A 20 -10.443 -0.767 0.987 1.00 0.00 C ATOM 255 C GLN A 20 -11.268 -1.858 0.313 1.00 0.00 C ATOM 256 O GLN A 20 -11.186 -3.029 0.681 1.00 0.00 O ATOM 257 CB GLN A 20 -11.179 -0.246 2.223 1.00 0.00 C ATOM 258 CG GLN A 20 -10.421 0.841 2.969 1.00 0.00 C ATOM 259 CD GLN A 20 -9.480 0.282 4.017 1.00 0.00 C ATOM 260 OE1 GLN A 20 -9.904 -0.109 5.104 1.00 0.00 O ATOM 261 NE2 GLN A 20 -8.192 0.242 3.695 1.00 0.00 N ATOM 0 H GLN A 20 -10.561 1.226 0.345 1.00 0.00 H new ATOM 0 HA GLN A 20 -9.489 -1.196 1.294 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -12.151 0.143 1.920 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -11.366 -1.078 2.902 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.851 1.436 2.255 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.134 1.513 3.447 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.884 0.577 2.782 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.511 -0.124 4.361 1.00 0.00 H new ATOM 270 N GLY A 21 -12.063 -1.465 -0.678 1.00 0.00 N ATOM 271 CA GLY A 21 -12.891 -2.422 -1.388 1.00 0.00 C ATOM 272 C GLY A 21 -12.167 -3.062 -2.556 1.00 0.00 C ATOM 273 O GLY A 21 -12.620 -4.071 -3.099 1.00 0.00 O ATOM 0 H GLY A 21 -12.148 -0.501 -1.001 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.217 -3.199 -0.697 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.789 -1.922 -1.751 1.00 0.00 H new ATOM 277 N LEU A 22 -11.041 -2.475 -2.945 1.00 0.00 N ATOM 278 CA LEU A 22 -10.252 -2.994 -4.057 1.00 0.00 C ATOM 279 C LEU A 22 -8.962 -3.636 -3.558 1.00 0.00 C ATOM 280 O LEU A 22 -8.020 -3.838 -4.325 1.00 0.00 O ATOM 281 CB LEU A 22 -9.928 -1.872 -5.045 1.00 0.00 C ATOM 282 CG LEU A 22 -11.099 -0.977 -5.452 1.00 0.00 C ATOM 283 CD1 LEU A 22 -10.612 0.185 -6.304 1.00 0.00 C ATOM 284 CD2 LEU A 22 -12.152 -1.783 -6.199 1.00 0.00 C ATOM 0 H LEU A 22 -10.654 -1.639 -2.507 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.843 -3.757 -4.564 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.151 -1.244 -4.609 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.508 -2.319 -5.946 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.553 -0.573 -4.547 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.459 0.811 -6.584 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.895 0.778 -5.736 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.132 -0.200 -7.204 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -12.978 -1.130 -6.481 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.710 -2.216 -7.096 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -12.524 -2.581 -5.556 1.00 0.00 H new ATOM 296 N ILE A 23 -8.927 -3.957 -2.269 1.00 0.00 N ATOM 297 CA ILE A 23 -7.754 -4.579 -1.668 1.00 0.00 C ATOM 298 C ILE A 23 -7.547 -5.992 -2.204 1.00 0.00 C ATOM 299 O ILE A 23 -6.415 -6.424 -2.420 1.00 0.00 O ATOM 300 CB ILE A 23 -7.870 -4.636 -0.134 1.00 0.00 C ATOM 301 CG1 ILE A 23 -8.223 -3.256 0.424 1.00 0.00 C ATOM 302 CG2 ILE A 23 -6.573 -5.145 0.477 1.00 0.00 C ATOM 303 CD1 ILE A 23 -7.077 -2.270 0.368 1.00 0.00 C ATOM 0 H ILE A 23 -9.698 -3.796 -1.621 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.897 -3.961 -1.936 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.669 -5.329 0.130 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.067 -2.852 -0.135 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.549 -3.364 1.459 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.671 -5.180 1.562 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.361 -6.145 0.100 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.756 -4.475 0.208 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.399 -1.314 0.780 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.239 -2.652 0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.766 -2.133 -0.667 1.00 0.00 H new ATOM 315 N GLN A 24 -8.647 -6.705 -2.418 1.00 0.00 N ATOM 316 CA GLN A 24 -8.586 -8.069 -2.930 1.00 0.00 C ATOM 317 C GLN A 24 -8.165 -8.082 -4.396 1.00 0.00 C ATOM 318 O GLN A 24 -7.699 -9.099 -4.910 1.00 0.00 O ATOM 319 CB GLN A 24 -9.942 -8.758 -2.771 1.00 0.00 C ATOM 320 CG GLN A 24 -10.541 -8.609 -1.382 1.00 0.00 C ATOM 321 CD GLN A 24 -11.983 -9.070 -1.315 1.00 0.00 C ATOM 322 OE1 GLN A 24 -12.272 -10.180 -0.867 1.00 0.00 O ATOM 323 NE2 GLN A 24 -12.899 -8.218 -1.761 1.00 0.00 N ATOM 0 H GLN A 24 -9.592 -6.361 -2.245 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.840 -8.614 -2.351 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.637 -8.347 -3.503 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.830 -9.818 -2.998 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.947 -9.183 -0.671 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.483 -7.564 -1.076 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -12.615 -7.308 -2.124 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -13.886 -8.474 -1.740 1.00 0.00 H new ATOM 332 N VAL A 25 -8.333 -6.945 -5.065 1.00 0.00 N ATOM 333 CA VAL A 25 -7.970 -6.825 -6.472 1.00 0.00 C ATOM 334 C VAL A 25 -6.661 -6.062 -6.638 1.00 0.00 C ATOM 335 O VAL A 25 -6.056 -6.072 -7.710 1.00 0.00 O ATOM 336 CB VAL A 25 -9.073 -6.113 -7.277 1.00 0.00 C ATOM 337 CG1 VAL A 25 -10.373 -6.900 -7.214 1.00 0.00 C ATOM 338 CG2 VAL A 25 -9.273 -4.694 -6.767 1.00 0.00 C ATOM 0 H VAL A 25 -8.718 -6.094 -4.655 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.848 -7.838 -6.855 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.760 -6.059 -8.320 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.140 -6.381 -7.789 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.217 -7.895 -7.632 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.695 -6.989 -6.176 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.056 -4.206 -7.347 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.564 -4.722 -5.717 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.343 -4.136 -6.871 1.00 0.00 H new ATOM 348 N ALA A 26 -6.228 -5.400 -5.570 1.00 0.00 N ATOM 349 CA ALA A 26 -4.989 -4.633 -5.597 1.00 0.00 C ATOM 350 C ALA A 26 -3.813 -5.471 -5.105 1.00 0.00 C ATOM 351 O ALA A 26 -3.951 -6.265 -4.175 1.00 0.00 O ATOM 352 CB ALA A 26 -5.130 -3.373 -4.755 1.00 0.00 C ATOM 0 H ALA A 26 -6.717 -5.380 -4.675 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.790 -4.347 -6.630 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.197 -2.810 -4.784 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.938 -2.758 -5.152 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.356 -3.647 -3.725 1.00 0.00 H new ATOM 358 N SER A 27 -2.658 -5.289 -5.736 1.00 0.00 N ATOM 359 CA SER A 27 -1.459 -6.032 -5.366 1.00 0.00 C ATOM 360 C SER A 27 -0.648 -5.269 -4.322 1.00 0.00 C ATOM 361 O SER A 27 -0.592 -4.040 -4.341 1.00 0.00 O ATOM 362 CB SER A 27 -0.598 -6.300 -6.601 1.00 0.00 C ATOM 363 OG SER A 27 -1.270 -7.146 -7.518 1.00 0.00 O ATOM 0 H SER A 27 -2.527 -4.633 -6.506 1.00 0.00 H new ATOM 0 HA SER A 27 -1.770 -6.984 -4.935 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.350 -5.356 -7.087 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.343 -6.760 -6.299 1.00 0.00 H new ATOM 0 HG SER A 27 -0.699 -7.300 -8.299 1.00 0.00 H new ATOM 369 N ARG A 28 -0.022 -6.009 -3.413 1.00 0.00 N ATOM 370 CA ARG A 28 0.785 -5.404 -2.360 1.00 0.00 C ATOM 371 C ARG A 28 1.503 -4.159 -2.873 1.00 0.00 C ATOM 372 O ARG A 28 1.596 -3.152 -2.172 1.00 0.00 O ATOM 373 CB ARG A 28 1.805 -6.411 -1.827 1.00 0.00 C ATOM 374 CG ARG A 28 2.784 -6.903 -2.881 1.00 0.00 C ATOM 375 CD ARG A 28 3.574 -8.106 -2.390 1.00 0.00 C ATOM 376 NE ARG A 28 2.913 -9.366 -2.718 1.00 0.00 N ATOM 377 CZ ARG A 28 3.091 -10.490 -2.033 1.00 0.00 C ATOM 378 NH1 ARG A 28 3.906 -10.510 -0.987 1.00 0.00 N ATOM 379 NH2 ARG A 28 2.454 -11.596 -2.392 1.00 0.00 N ATOM 0 H ARG A 28 -0.058 -7.028 -3.384 1.00 0.00 H new ATOM 0 HA ARG A 28 0.118 -5.110 -1.550 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.363 -5.952 -1.011 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.274 -7.266 -1.409 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.241 -7.169 -3.788 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.471 -6.099 -3.145 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.569 -8.092 -2.835 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.706 -8.037 -1.310 1.00 0.00 H new ATOM 0 HE ARG A 28 2.280 -9.384 -3.517 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.398 -9.661 -0.707 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.041 -11.374 -0.462 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.826 -11.585 -3.196 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.592 -12.458 -1.865 1.00 0.00 H new ATOM 393 N GLU A 29 2.010 -4.238 -4.099 1.00 0.00 N ATOM 394 CA GLU A 29 2.721 -3.118 -4.705 1.00 0.00 C ATOM 395 C GLU A 29 1.787 -1.930 -4.915 1.00 0.00 C ATOM 396 O GLU A 29 2.128 -0.794 -4.587 1.00 0.00 O ATOM 397 CB GLU A 29 3.338 -3.539 -6.040 1.00 0.00 C ATOM 398 CG GLU A 29 4.503 -4.504 -5.895 1.00 0.00 C ATOM 399 CD GLU A 29 4.055 -5.950 -5.806 1.00 0.00 C ATOM 400 OE1 GLU A 29 2.931 -6.252 -6.256 1.00 0.00 O ATOM 401 OE2 GLU A 29 4.831 -6.779 -5.285 1.00 0.00 O ATOM 0 H GLU A 29 1.942 -5.065 -4.692 1.00 0.00 H new ATOM 0 HA GLU A 29 3.517 -2.816 -4.025 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.568 -4.003 -6.656 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.678 -2.649 -6.570 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.175 -4.387 -6.746 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.073 -4.248 -5.002 1.00 0.00 H new ATOM 408 N GLN A 30 0.608 -2.202 -5.466 1.00 0.00 N ATOM 409 CA GLN A 30 -0.375 -1.156 -5.722 1.00 0.00 C ATOM 410 C GLN A 30 -0.784 -0.465 -4.425 1.00 0.00 C ATOM 411 O GLN A 30 -0.913 0.759 -4.376 1.00 0.00 O ATOM 412 CB GLN A 30 -1.607 -1.743 -6.412 1.00 0.00 C ATOM 413 CG GLN A 30 -1.342 -2.218 -7.831 1.00 0.00 C ATOM 414 CD GLN A 30 -2.615 -2.547 -8.584 1.00 0.00 C ATOM 415 OE1 GLN A 30 -3.377 -3.428 -8.184 1.00 0.00 O ATOM 416 NE2 GLN A 30 -2.855 -1.839 -9.682 1.00 0.00 N ATOM 0 H GLN A 30 0.311 -3.137 -5.743 1.00 0.00 H new ATOM 0 HA GLN A 30 0.082 -0.415 -6.379 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.979 -2.580 -5.821 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.395 -0.991 -6.431 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.794 -1.447 -8.372 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.704 -3.101 -7.801 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.197 -1.118 -9.978 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.697 -2.016 -10.229 1.00 0.00 H new ATOM 425 N LEU A 31 -0.986 -1.256 -3.378 1.00 0.00 N ATOM 426 CA LEU A 31 -1.381 -0.720 -2.080 1.00 0.00 C ATOM 427 C LEU A 31 -0.415 0.369 -1.623 1.00 0.00 C ATOM 428 O LEU A 31 -0.817 1.341 -0.982 1.00 0.00 O ATOM 429 CB LEU A 31 -1.435 -1.839 -1.038 1.00 0.00 C ATOM 430 CG LEU A 31 -2.751 -2.614 -0.954 1.00 0.00 C ATOM 431 CD1 LEU A 31 -3.903 -1.677 -0.627 1.00 0.00 C ATOM 432 CD2 LEU A 31 -3.017 -3.356 -2.255 1.00 0.00 C ATOM 0 H LEU A 31 -0.883 -2.271 -3.402 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.373 -0.280 -2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.633 -2.546 -1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.228 -1.407 -0.059 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.668 -3.347 -0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.831 -2.247 -0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.717 -1.192 0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.988 -0.920 -1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.957 -3.902 -2.177 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.079 -2.641 -3.075 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.205 -4.058 -2.446 1.00 0.00 H new ATOM 444 N LEU A 32 0.859 0.201 -1.959 1.00 0.00 N ATOM 445 CA LEU A 32 1.883 1.170 -1.586 1.00 0.00 C ATOM 446 C LEU A 32 1.891 2.352 -2.550 1.00 0.00 C ATOM 447 O LEU A 32 1.986 3.506 -2.132 1.00 0.00 O ATOM 448 CB LEU A 32 3.260 0.504 -1.565 1.00 0.00 C ATOM 449 CG LEU A 32 4.272 1.086 -0.577 1.00 0.00 C ATOM 450 CD1 LEU A 32 4.158 0.394 0.772 1.00 0.00 C ATOM 451 CD2 LEU A 32 5.686 0.959 -1.126 1.00 0.00 C ATOM 0 H LEU A 32 1.208 -0.598 -2.489 1.00 0.00 H new ATOM 0 HA LEU A 32 1.651 1.541 -0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.127 -0.553 -1.337 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.685 0.563 -2.567 1.00 0.00 H new ATOM 0 HG LEU A 32 4.051 2.144 -0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.885 0.821 1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.153 0.536 1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.353 -0.672 0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.393 1.378 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.919 -0.093 -1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.760 1.501 -2.069 1.00 0.00 H new ATOM 463 N TYR A 33 1.789 2.057 -3.841 1.00 0.00 N ATOM 464 CA TYR A 33 1.785 3.095 -4.864 1.00 0.00 C ATOM 465 C TYR A 33 0.831 4.225 -4.490 1.00 0.00 C ATOM 466 O TYR A 33 1.090 5.394 -4.782 1.00 0.00 O ATOM 467 CB TYR A 33 1.386 2.504 -6.218 1.00 0.00 C ATOM 468 CG TYR A 33 1.429 3.504 -7.351 1.00 0.00 C ATOM 469 CD1 TYR A 33 2.636 3.869 -7.936 1.00 0.00 C ATOM 470 CD2 TYR A 33 0.264 4.084 -7.837 1.00 0.00 C ATOM 471 CE1 TYR A 33 2.681 4.783 -8.971 1.00 0.00 C ATOM 472 CE2 TYR A 33 0.299 4.997 -8.873 1.00 0.00 C ATOM 473 CZ TYR A 33 1.510 5.343 -9.436 1.00 0.00 C ATOM 474 OH TYR A 33 1.549 6.254 -10.468 1.00 0.00 O ATOM 0 H TYR A 33 1.708 1.107 -4.204 1.00 0.00 H new ATOM 0 HA TYR A 33 2.793 3.503 -4.935 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.051 1.673 -6.453 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.378 2.095 -6.144 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.555 3.430 -7.575 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.685 3.816 -7.397 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.627 5.057 -9.413 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.616 5.437 -9.240 1.00 0.00 H new ATOM 0 HH TYR A 33 1.024 5.915 -11.223 1.00 0.00 H new ATOM 484 N LEU A 34 -0.272 3.869 -3.841 1.00 0.00 N ATOM 485 CA LEU A 34 -1.266 4.853 -3.424 1.00 0.00 C ATOM 486 C LEU A 34 -0.863 5.509 -2.107 1.00 0.00 C ATOM 487 O LEU A 34 -1.281 6.628 -1.806 1.00 0.00 O ATOM 488 CB LEU A 34 -2.637 4.191 -3.279 1.00 0.00 C ATOM 489 CG LEU A 34 -3.067 3.278 -4.428 1.00 0.00 C ATOM 490 CD1 LEU A 34 -4.522 2.867 -4.268 1.00 0.00 C ATOM 491 CD2 LEU A 34 -2.850 3.968 -5.767 1.00 0.00 C ATOM 0 H LEU A 34 -0.501 2.907 -3.592 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.322 5.625 -4.191 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.641 3.609 -2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.386 4.974 -3.164 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.452 2.378 -4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.810 2.218 -5.095 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.648 2.333 -3.326 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.153 3.756 -4.268 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.161 3.304 -6.573 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.439 4.884 -5.804 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.794 4.211 -5.884 1.00 0.00 H new ATOM 503 N TYR A 35 -0.048 4.808 -1.328 1.00 0.00 N ATOM 504 CA TYR A 35 0.411 5.322 -0.043 1.00 0.00 C ATOM 505 C TYR A 35 1.366 6.496 -0.236 1.00 0.00 C ATOM 506 O TYR A 35 1.287 7.498 0.475 1.00 0.00 O ATOM 507 CB TYR A 35 1.101 4.215 0.756 1.00 0.00 C ATOM 508 CG TYR A 35 1.988 4.732 1.866 1.00 0.00 C ATOM 509 CD1 TYR A 35 3.163 5.416 1.581 1.00 0.00 C ATOM 510 CD2 TYR A 35 1.651 4.536 3.200 1.00 0.00 C ATOM 511 CE1 TYR A 35 3.977 5.890 2.591 1.00 0.00 C ATOM 512 CE2 TYR A 35 2.459 5.008 4.217 1.00 0.00 C ATOM 513 CZ TYR A 35 3.620 5.684 3.908 1.00 0.00 C ATOM 514 OH TYR A 35 4.428 6.154 4.918 1.00 0.00 O ATOM 0 H TYR A 35 0.309 3.882 -1.564 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.460 5.672 0.511 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.342 3.560 1.184 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.700 3.608 0.077 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.445 5.580 0.551 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.743 4.006 3.446 1.00 0.00 H new ATOM 0 HE1 TYR A 35 4.888 6.419 2.351 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.182 4.848 5.249 1.00 0.00 H new ATOM 0 HH TYR A 35 4.033 5.927 5.786 1.00 0.00 H new ATOM 524 N ALA A 36 2.268 6.364 -1.203 1.00 0.00 N ATOM 525 CA ALA A 36 3.237 7.414 -1.492 1.00 0.00 C ATOM 526 C ALA A 36 2.541 8.692 -1.947 1.00 0.00 C ATOM 527 O ALA A 36 2.643 9.731 -1.294 1.00 0.00 O ATOM 528 CB ALA A 36 4.225 6.943 -2.549 1.00 0.00 C ATOM 0 H ALA A 36 2.348 5.540 -1.799 1.00 0.00 H new ATOM 0 HA ALA A 36 3.782 7.635 -0.574 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.943 7.737 -2.755 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.753 6.061 -2.186 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.688 6.693 -3.464 1.00 0.00 H new ATOM 534 N ARG A 37 1.836 8.609 -3.071 1.00 0.00 N ATOM 535 CA ARG A 37 1.126 9.761 -3.614 1.00 0.00 C ATOM 536 C ARG A 37 0.266 10.424 -2.542 1.00 0.00 C ATOM 537 O ARG A 37 0.321 11.639 -2.351 1.00 0.00 O ATOM 538 CB ARG A 37 0.250 9.337 -4.794 1.00 0.00 C ATOM 539 CG ARG A 37 0.992 8.519 -5.840 1.00 0.00 C ATOM 540 CD ARG A 37 0.208 8.435 -7.140 1.00 0.00 C ATOM 541 NE ARG A 37 0.482 9.568 -8.019 1.00 0.00 N ATOM 542 CZ ARG A 37 1.675 9.818 -8.546 1.00 0.00 C ATOM 543 NH1 ARG A 37 2.700 9.018 -8.284 1.00 0.00 N ATOM 544 NH2 ARG A 37 1.846 10.869 -9.337 1.00 0.00 N ATOM 0 H ARG A 37 1.741 7.756 -3.623 1.00 0.00 H new ATOM 0 HA ARG A 37 1.866 10.482 -3.960 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.592 8.755 -4.420 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.163 10.228 -5.267 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.967 8.968 -6.030 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.173 7.515 -5.457 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.459 7.508 -7.655 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.859 8.398 -6.918 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.285 10.203 -8.241 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.573 8.209 -7.677 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.615 9.212 -8.690 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.060 11.487 -9.541 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.763 11.059 -9.741 1.00 0.00 H new ATOM 558 N TYR A 38 -0.528 9.618 -1.845 1.00 0.00 N ATOM 559 CA TYR A 38 -1.401 10.127 -0.794 1.00 0.00 C ATOM 560 C TYR A 38 -0.606 10.917 0.241 1.00 0.00 C ATOM 561 O TYR A 38 -1.052 11.958 0.723 1.00 0.00 O ATOM 562 CB TYR A 38 -2.141 8.974 -0.114 1.00 0.00 C ATOM 563 CG TYR A 38 -3.144 9.426 0.923 1.00 0.00 C ATOM 564 CD1 TYR A 38 -2.730 10.068 2.084 1.00 0.00 C ATOM 565 CD2 TYR A 38 -4.504 9.211 0.743 1.00 0.00 C ATOM 566 CE1 TYR A 38 -3.642 10.482 3.035 1.00 0.00 C ATOM 567 CE2 TYR A 38 -5.424 9.623 1.688 1.00 0.00 C ATOM 568 CZ TYR A 38 -4.988 10.258 2.833 1.00 0.00 C ATOM 569 OH TYR A 38 -5.901 10.669 3.777 1.00 0.00 O ATOM 0 H TYR A 38 -0.585 8.610 -1.989 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.128 10.796 -1.254 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.656 8.386 -0.873 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.413 8.315 0.360 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.677 10.246 2.245 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.849 8.713 -0.151 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.303 10.979 3.932 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.478 9.449 1.531 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.806 10.436 3.480 1.00 0.00 H new ATOM 579 N LYS A 39 0.577 10.414 0.578 1.00 0.00 N ATOM 580 CA LYS A 39 1.438 11.070 1.554 1.00 0.00 C ATOM 581 C LYS A 39 2.122 12.289 0.943 1.00 0.00 C ATOM 582 O LYS A 39 2.658 13.134 1.659 1.00 0.00 O ATOM 583 CB LYS A 39 2.491 10.090 2.077 1.00 0.00 C ATOM 584 CG LYS A 39 1.958 9.124 3.120 1.00 0.00 C ATOM 585 CD LYS A 39 1.677 9.824 4.438 1.00 0.00 C ATOM 586 CE LYS A 39 2.944 10.423 5.031 1.00 0.00 C ATOM 587 NZ LYS A 39 2.750 10.840 6.448 1.00 0.00 N ATOM 0 H LYS A 39 0.961 9.553 0.189 1.00 0.00 H new ATOM 0 HA LYS A 39 0.816 11.402 2.385 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.893 9.521 1.239 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.319 10.654 2.506 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.043 8.659 2.752 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.681 8.324 3.279 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.939 10.611 4.283 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.244 9.115 5.143 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.752 9.693 4.975 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.251 11.284 4.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.636 11.243 6.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.997 11.555 6.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.482 10.013 7.020 1.00 0.00 H new ATOM 601 N GLN A 40 2.097 12.374 -0.383 1.00 0.00 N ATOM 602 CA GLN A 40 2.714 13.490 -1.089 1.00 0.00 C ATOM 603 C GLN A 40 1.729 14.643 -1.251 1.00 0.00 C ATOM 604 O GLN A 40 2.111 15.812 -1.200 1.00 0.00 O ATOM 605 CB GLN A 40 3.219 13.038 -2.460 1.00 0.00 C ATOM 606 CG GLN A 40 3.922 14.136 -3.242 1.00 0.00 C ATOM 607 CD GLN A 40 5.249 14.533 -2.626 1.00 0.00 C ATOM 608 OE1 GLN A 40 5.839 13.778 -1.853 1.00 0.00 O ATOM 609 NE2 GLN A 40 5.727 15.725 -2.966 1.00 0.00 N ATOM 0 H GLN A 40 1.656 11.683 -0.990 1.00 0.00 H new ATOM 0 HA GLN A 40 3.559 13.839 -0.496 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.905 12.202 -2.327 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.376 12.669 -3.045 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.087 13.799 -4.265 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.274 15.011 -3.295 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.205 16.319 -3.610 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.616 16.046 -2.583 1.00 0.00 H new ATOM 618 N VAL A 41 0.458 14.306 -1.448 1.00 0.00 N ATOM 619 CA VAL A 41 -0.582 15.313 -1.617 1.00 0.00 C ATOM 620 C VAL A 41 -0.970 15.933 -0.280 1.00 0.00 C ATOM 621 O VAL A 41 -1.454 17.064 -0.224 1.00 0.00 O ATOM 622 CB VAL A 41 -1.839 14.715 -2.277 1.00 0.00 C ATOM 623 CG1 VAL A 41 -1.452 13.745 -3.383 1.00 0.00 C ATOM 624 CG2 VAL A 41 -2.712 14.029 -1.236 1.00 0.00 C ATOM 0 H VAL A 41 0.124 13.343 -1.494 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.171 16.086 -2.267 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.414 15.526 -2.723 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.353 13.333 -3.837 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.871 14.270 -4.141 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.854 12.936 -2.964 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.596 13.612 -1.720 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.148 13.228 -0.759 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.019 14.755 -0.483 1.00 0.00 H new ATOM 634 N LYS A 42 -0.754 15.186 0.797 1.00 0.00 N ATOM 635 CA LYS A 42 -1.078 15.662 2.137 1.00 0.00 C ATOM 636 C LYS A 42 0.113 16.381 2.762 1.00 0.00 C ATOM 637 O LYS A 42 -0.010 17.511 3.234 1.00 0.00 O ATOM 638 CB LYS A 42 -1.505 14.492 3.027 1.00 0.00 C ATOM 639 CG LYS A 42 -2.812 13.847 2.599 1.00 0.00 C ATOM 640 CD LYS A 42 -3.996 14.764 2.857 1.00 0.00 C ATOM 641 CE LYS A 42 -5.259 14.246 2.185 1.00 0.00 C ATOM 642 NZ LYS A 42 -6.454 15.053 2.555 1.00 0.00 N ATOM 0 H LYS A 42 -0.356 14.247 0.768 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.904 16.368 2.054 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.719 13.737 3.022 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.603 14.844 4.054 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.767 13.599 1.538 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.951 12.911 3.139 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.163 14.851 3.931 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.770 15.764 2.488 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.129 14.265 1.103 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.421 13.206 2.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.294 14.669 2.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.594 15.015 3.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.310 16.040 2.262 1.00 0.00 H new ATOM 656 N VAL A 43 1.266 15.720 2.760 1.00 0.00 N ATOM 657 CA VAL A 43 2.480 16.297 3.324 1.00 0.00 C ATOM 658 C VAL A 43 3.287 17.031 2.259 1.00 0.00 C ATOM 659 O VAL A 43 3.401 18.255 2.284 1.00 0.00 O ATOM 660 CB VAL A 43 3.367 15.218 3.972 1.00 0.00 C ATOM 661 CG1 VAL A 43 4.524 15.857 4.725 1.00 0.00 C ATOM 662 CG2 VAL A 43 2.542 14.335 4.896 1.00 0.00 C ATOM 0 H VAL A 43 1.385 14.784 2.374 1.00 0.00 H new ATOM 0 HA VAL A 43 2.166 17.006 4.090 1.00 0.00 H new ATOM 0 HB VAL A 43 3.782 14.592 3.182 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.139 15.078 5.176 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.129 16.442 4.033 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.134 16.509 5.507 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.185 13.578 5.345 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.097 14.946 5.681 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.752 13.848 4.324 1.00 0.00 H new ATOM 672 N GLY A 44 3.845 16.272 1.320 1.00 0.00 N ATOM 673 CA GLY A 44 4.634 16.866 0.257 1.00 0.00 C ATOM 674 C GLY A 44 6.072 16.386 0.264 1.00 0.00 C ATOM 675 O GLY A 44 6.332 15.187 0.353 1.00 0.00 O ATOM 0 H GLY A 44 3.764 15.256 1.277 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.180 16.628 -0.705 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.616 17.951 0.358 1.00 0.00 H new ATOM 679 N ASN A 45 7.008 17.324 0.169 1.00 0.00 N ATOM 680 CA ASN A 45 8.428 16.990 0.162 1.00 0.00 C ATOM 681 C ASN A 45 8.804 16.191 1.406 1.00 0.00 C ATOM 682 O ASN A 45 8.673 16.676 2.531 1.00 0.00 O ATOM 683 CB ASN A 45 9.273 18.263 0.084 1.00 0.00 C ATOM 684 CG ASN A 45 10.636 18.015 -0.531 1.00 0.00 C ATOM 685 OD1 ASN A 45 11.526 17.454 0.108 1.00 0.00 O ATOM 686 ND2 ASN A 45 10.806 18.434 -1.780 1.00 0.00 N ATOM 0 H ASN A 45 6.809 18.322 0.096 1.00 0.00 H new ATOM 0 HA ASN A 45 8.627 16.376 -0.717 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.743 19.012 -0.504 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.399 18.674 1.086 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.702 18.295 -2.247 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.040 18.894 -2.272 1.00 0.00 H new ATOM 693 N CYS A 46 9.272 14.966 1.196 1.00 0.00 N ATOM 694 CA CYS A 46 9.668 14.099 2.301 1.00 0.00 C ATOM 695 C CYS A 46 10.365 14.898 3.396 1.00 0.00 C ATOM 696 O CYS A 46 11.341 15.602 3.139 1.00 0.00 O ATOM 697 CB CYS A 46 10.590 12.987 1.799 1.00 0.00 C ATOM 698 SG CYS A 46 10.930 11.701 3.024 1.00 0.00 S ATOM 0 H CYS A 46 9.387 14.550 0.272 1.00 0.00 H new ATOM 0 HA CYS A 46 8.767 13.652 2.720 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.140 12.526 0.919 1.00 0.00 H new ATOM 0 HB3 CYS A 46 11.534 13.429 1.480 1.00 0.00 H new ATOM 0 HG CYS A 46 10.203 11.907 4.082 1.00 0.00 H new ATOM 704 N ASN A 47 9.856 14.786 4.619 1.00 0.00 N ATOM 705 CA ASN A 47 10.429 15.500 5.754 1.00 0.00 C ATOM 706 C ASN A 47 10.659 14.557 6.931 1.00 0.00 C ATOM 707 O ASN A 47 10.535 14.951 8.091 1.00 0.00 O ATOM 708 CB ASN A 47 9.510 16.648 6.178 1.00 0.00 C ATOM 709 CG ASN A 47 8.043 16.268 6.110 1.00 0.00 C ATOM 710 OD1 ASN A 47 7.480 16.111 5.027 1.00 0.00 O ATOM 711 ND2 ASN A 47 7.416 16.120 7.272 1.00 0.00 N ATOM 0 H ASN A 47 9.048 14.208 4.849 1.00 0.00 H new ATOM 0 HA ASN A 47 11.391 15.908 5.445 1.00 0.00 H new ATOM 0 HB2 ASN A 47 9.757 16.951 7.195 1.00 0.00 H new ATOM 0 HB3 ASN A 47 9.690 17.510 5.536 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.428 15.866 7.290 1.00 0.00 H new ATOM 0 HD22 ASN A 47 7.922 16.260 8.146 1.00 0.00 H new ATOM 718 N THR A 48 10.995 13.308 6.624 1.00 0.00 N ATOM 719 CA THR A 48 11.242 12.308 7.655 1.00 0.00 C ATOM 720 C THR A 48 12.558 11.578 7.410 1.00 0.00 C ATOM 721 O THR A 48 13.002 11.415 6.273 1.00 0.00 O ATOM 722 CB THR A 48 10.100 11.275 7.721 1.00 0.00 C ATOM 723 OG1 THR A 48 9.854 10.733 6.419 1.00 0.00 O ATOM 724 CG2 THR A 48 8.827 11.910 8.260 1.00 0.00 C ATOM 0 H THR A 48 11.102 12.965 5.669 1.00 0.00 H new ATOM 0 HA THR A 48 11.296 12.840 8.605 1.00 0.00 H new ATOM 0 HB THR A 48 10.402 10.474 8.396 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.128 10.076 6.470 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.035 11.162 8.298 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.009 12.296 9.263 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.523 12.728 7.606 1.00 0.00 H new ATOM 732 N PRO A 49 13.197 11.127 8.499 1.00 0.00 N ATOM 733 CA PRO A 49 14.471 10.406 8.427 1.00 0.00 C ATOM 734 C PRO A 49 14.317 9.015 7.822 1.00 0.00 C ATOM 735 O PRO A 49 13.268 8.384 7.950 1.00 0.00 O ATOM 736 CB PRO A 49 14.906 10.307 9.892 1.00 0.00 C ATOM 737 CG PRO A 49 13.637 10.384 10.669 1.00 0.00 C ATOM 738 CD PRO A 49 12.725 11.286 9.885 1.00 0.00 C ATOM 0 HA PRO A 49 15.192 10.915 7.787 1.00 0.00 H new ATOM 0 HB2 PRO A 49 15.433 9.373 10.086 1.00 0.00 H new ATOM 0 HB3 PRO A 49 15.584 11.117 10.159 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.195 9.395 10.794 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.815 10.782 11.668 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.681 10.991 9.990 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.799 12.321 10.219 1.00 0.00 H new ATOM 746 N LYS A 50 15.369 8.542 7.162 1.00 0.00 N ATOM 747 CA LYS A 50 15.352 7.225 6.537 1.00 0.00 C ATOM 748 C LYS A 50 15.175 6.129 7.583 1.00 0.00 C ATOM 749 O LYS A 50 15.865 6.094 8.602 1.00 0.00 O ATOM 750 CB LYS A 50 16.645 6.993 5.753 1.00 0.00 C ATOM 751 CG LYS A 50 16.553 5.856 4.749 1.00 0.00 C ATOM 752 CD LYS A 50 17.816 5.747 3.912 1.00 0.00 C ATOM 753 CE LYS A 50 17.636 4.776 2.755 1.00 0.00 C ATOM 754 NZ LYS A 50 18.563 5.077 1.630 1.00 0.00 N ATOM 0 H LYS A 50 16.245 9.052 7.046 1.00 0.00 H new ATOM 0 HA LYS A 50 14.507 7.187 5.850 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.911 7.910 5.227 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.452 6.783 6.454 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.383 4.917 5.276 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.695 6.015 4.096 1.00 0.00 H new ATOM 0 HD2 LYS A 50 18.083 6.730 3.525 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.643 5.416 4.541 1.00 0.00 H new ATOM 0 HE2 LYS A 50 17.808 3.758 3.105 1.00 0.00 H new ATOM 0 HE3 LYS A 50 16.607 4.821 2.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.409 4.394 0.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 18.382 6.039 1.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.546 5.009 1.963 1.00 0.00 H new ATOM 768 N PRO A 51 14.231 5.212 7.328 1.00 0.00 N ATOM 769 CA PRO A 51 13.944 4.097 8.235 1.00 0.00 C ATOM 770 C PRO A 51 15.071 3.070 8.266 1.00 0.00 C ATOM 771 O PRO A 51 15.689 2.781 7.242 1.00 0.00 O ATOM 772 CB PRO A 51 12.674 3.478 7.646 1.00 0.00 C ATOM 773 CG PRO A 51 12.708 3.844 6.202 1.00 0.00 C ATOM 774 CD PRO A 51 13.371 5.192 6.132 1.00 0.00 C ATOM 0 HA PRO A 51 13.834 4.430 9.267 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.662 2.396 7.780 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.781 3.869 8.133 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.264 3.105 5.625 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.702 3.882 5.785 1.00 0.00 H new ATOM 0 HD2 PRO A 51 13.952 5.307 5.217 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.640 6.001 6.149 1.00 0.00 H new ATOM 782 N SER A 52 15.333 2.522 9.449 1.00 0.00 N ATOM 783 CA SER A 52 16.389 1.529 9.614 1.00 0.00 C ATOM 784 C SER A 52 16.257 0.419 8.576 1.00 0.00 C ATOM 785 O SER A 52 15.155 0.093 8.135 1.00 0.00 O ATOM 786 CB SER A 52 16.342 0.935 11.023 1.00 0.00 C ATOM 787 OG SER A 52 17.621 0.474 11.424 1.00 0.00 O ATOM 0 H SER A 52 14.829 2.749 10.306 1.00 0.00 H new ATOM 0 HA SER A 52 17.348 2.026 9.469 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.986 1.687 11.727 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.630 0.110 11.050 1.00 0.00 H new ATOM 0 HG SER A 52 17.565 0.100 12.328 1.00 0.00 H new ATOM 793 N PHE A 53 17.390 -0.158 8.190 1.00 0.00 N ATOM 794 CA PHE A 53 17.404 -1.232 7.203 1.00 0.00 C ATOM 795 C PHE A 53 16.508 -2.386 7.643 1.00 0.00 C ATOM 796 O PHE A 53 15.757 -2.944 6.843 1.00 0.00 O ATOM 797 CB PHE A 53 18.832 -1.734 6.985 1.00 0.00 C ATOM 798 CG PHE A 53 18.984 -2.599 5.766 1.00 0.00 C ATOM 799 CD1 PHE A 53 18.840 -2.062 4.497 1.00 0.00 C ATOM 800 CD2 PHE A 53 19.270 -3.949 5.889 1.00 0.00 C ATOM 801 CE1 PHE A 53 18.978 -2.856 3.374 1.00 0.00 C ATOM 802 CE2 PHE A 53 19.410 -4.748 4.770 1.00 0.00 C ATOM 803 CZ PHE A 53 19.264 -4.200 3.511 1.00 0.00 C ATOM 0 H PHE A 53 18.311 0.100 8.545 1.00 0.00 H new ATOM 0 HA PHE A 53 17.019 -0.834 6.264 1.00 0.00 H new ATOM 0 HB2 PHE A 53 19.500 -0.877 6.898 1.00 0.00 H new ATOM 0 HB3 PHE A 53 19.148 -2.298 7.863 1.00 0.00 H new ATOM 0 HD1 PHE A 53 18.617 -1.011 4.384 1.00 0.00 H new ATOM 0 HD2 PHE A 53 19.385 -4.382 6.872 1.00 0.00 H new ATOM 0 HE1 PHE A 53 18.862 -2.426 2.390 1.00 0.00 H new ATOM 0 HE2 PHE A 53 19.633 -5.799 4.880 1.00 0.00 H new ATOM 0 HZ PHE A 53 19.373 -4.822 2.635 1.00 0.00 H new ATOM 813 N PHE A 54 16.595 -2.740 8.921 1.00 0.00 N ATOM 814 CA PHE A 54 15.794 -3.829 9.469 1.00 0.00 C ATOM 815 C PHE A 54 14.306 -3.573 9.252 1.00 0.00 C ATOM 816 O PHE A 54 13.570 -4.456 8.811 1.00 0.00 O ATOM 817 CB PHE A 54 16.081 -4.001 10.962 1.00 0.00 C ATOM 818 CG PHE A 54 17.223 -4.934 11.249 1.00 0.00 C ATOM 819 CD1 PHE A 54 18.466 -4.726 10.674 1.00 0.00 C ATOM 820 CD2 PHE A 54 17.053 -6.018 12.095 1.00 0.00 C ATOM 821 CE1 PHE A 54 19.519 -5.582 10.937 1.00 0.00 C ATOM 822 CE2 PHE A 54 18.102 -6.877 12.362 1.00 0.00 C ATOM 823 CZ PHE A 54 19.336 -6.660 11.781 1.00 0.00 C ATOM 0 H PHE A 54 17.212 -2.289 9.597 1.00 0.00 H new ATOM 0 HA PHE A 54 16.067 -4.745 8.946 1.00 0.00 H new ATOM 0 HB2 PHE A 54 16.301 -3.026 11.396 1.00 0.00 H new ATOM 0 HB3 PHE A 54 15.184 -4.375 11.456 1.00 0.00 H new ATOM 0 HD1 PHE A 54 18.614 -3.885 10.013 1.00 0.00 H new ATOM 0 HD2 PHE A 54 16.090 -6.194 12.551 1.00 0.00 H new ATOM 0 HE1 PHE A 54 20.483 -5.408 10.483 1.00 0.00 H new ATOM 0 HE2 PHE A 54 17.957 -7.717 13.025 1.00 0.00 H new ATOM 0 HZ PHE A 54 20.156 -7.332 11.986 1.00 0.00 H new ATOM 833 N ASP A 55 13.870 -2.357 9.564 1.00 0.00 N ATOM 834 CA ASP A 55 12.469 -1.983 9.403 1.00 0.00 C ATOM 835 C ASP A 55 12.097 -1.893 7.927 1.00 0.00 C ATOM 836 O ASP A 55 12.008 -0.802 7.363 1.00 0.00 O ATOM 837 CB ASP A 55 12.195 -0.646 10.093 1.00 0.00 C ATOM 838 CG ASP A 55 10.749 -0.505 10.529 1.00 0.00 C ATOM 839 OD1 ASP A 55 9.878 -0.343 9.649 1.00 0.00 O ATOM 840 OD2 ASP A 55 10.489 -0.557 11.749 1.00 0.00 O ATOM 0 H ASP A 55 14.466 -1.614 9.929 1.00 0.00 H new ATOM 0 HA ASP A 55 11.856 -2.756 9.867 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.845 -0.549 10.963 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.448 0.168 9.414 1.00 0.00 H new ATOM 845 N PHE A 56 11.882 -3.048 7.305 1.00 0.00 N ATOM 846 CA PHE A 56 11.521 -3.100 5.893 1.00 0.00 C ATOM 847 C PHE A 56 10.132 -2.511 5.664 1.00 0.00 C ATOM 848 O PHE A 56 9.967 -1.571 4.887 1.00 0.00 O ATOM 849 CB PHE A 56 11.564 -4.544 5.387 1.00 0.00 C ATOM 850 CG PHE A 56 12.483 -5.429 6.179 1.00 0.00 C ATOM 851 CD1 PHE A 56 12.031 -6.078 7.317 1.00 0.00 C ATOM 852 CD2 PHE A 56 13.799 -5.613 5.786 1.00 0.00 C ATOM 853 CE1 PHE A 56 12.874 -6.894 8.048 1.00 0.00 C ATOM 854 CE2 PHE A 56 14.646 -6.428 6.512 1.00 0.00 C ATOM 855 CZ PHE A 56 14.184 -7.068 7.645 1.00 0.00 C ATOM 0 H PHE A 56 11.952 -3.960 7.756 1.00 0.00 H new ATOM 0 HA PHE A 56 12.245 -2.505 5.337 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.557 -4.961 5.416 1.00 0.00 H new ATOM 0 HB3 PHE A 56 11.880 -4.546 4.344 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.008 -5.945 7.637 1.00 0.00 H new ATOM 0 HD2 PHE A 56 14.167 -5.114 4.902 1.00 0.00 H new ATOM 0 HE1 PHE A 56 12.509 -7.395 8.933 1.00 0.00 H new ATOM 0 HE2 PHE A 56 15.669 -6.564 6.194 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.846 -7.703 8.215 1.00 0.00 H new ATOM 865 N GLU A 57 9.138 -3.070 6.347 1.00 0.00 N ATOM 866 CA GLU A 57 7.764 -2.601 6.217 1.00 0.00 C ATOM 867 C GLU A 57 7.719 -1.081 6.081 1.00 0.00 C ATOM 868 O GLU A 57 7.116 -0.548 5.151 1.00 0.00 O ATOM 869 CB GLU A 57 6.935 -3.040 7.426 1.00 0.00 C ATOM 870 CG GLU A 57 7.113 -4.506 7.785 1.00 0.00 C ATOM 871 CD GLU A 57 6.148 -4.964 8.861 1.00 0.00 C ATOM 872 OE1 GLU A 57 4.967 -4.562 8.808 1.00 0.00 O ATOM 873 OE2 GLU A 57 6.573 -5.724 9.756 1.00 0.00 O ATOM 0 H GLU A 57 9.259 -3.848 6.996 1.00 0.00 H new ATOM 0 HA GLU A 57 7.340 -3.043 5.315 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.209 -2.428 8.285 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.881 -2.850 7.222 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.971 -5.115 6.892 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.135 -4.672 8.125 1.00 0.00 H new ATOM 880 N GLY A 58 8.361 -0.389 7.018 1.00 0.00 N ATOM 881 CA GLY A 58 8.381 1.061 6.985 1.00 0.00 C ATOM 882 C GLY A 58 9.351 1.605 5.954 1.00 0.00 C ATOM 883 O GLY A 58 9.246 2.759 5.539 1.00 0.00 O ATOM 0 H GLY A 58 8.867 -0.807 7.799 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.379 1.430 6.767 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.653 1.440 7.970 1.00 0.00 H new ATOM 887 N LYS A 59 10.300 0.772 5.541 1.00 0.00 N ATOM 888 CA LYS A 59 11.294 1.174 4.552 1.00 0.00 C ATOM 889 C LYS A 59 10.653 1.356 3.180 1.00 0.00 C ATOM 890 O LYS A 59 10.766 2.418 2.569 1.00 0.00 O ATOM 891 CB LYS A 59 12.413 0.133 4.471 1.00 0.00 C ATOM 892 CG LYS A 59 13.530 0.515 3.516 1.00 0.00 C ATOM 893 CD LYS A 59 14.710 -0.437 3.629 1.00 0.00 C ATOM 894 CE LYS A 59 14.369 -1.814 3.081 1.00 0.00 C ATOM 895 NZ LYS A 59 15.341 -2.847 3.534 1.00 0.00 N ATOM 0 H LYS A 59 10.402 -0.186 5.876 1.00 0.00 H new ATOM 0 HA LYS A 59 11.717 2.129 4.865 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.832 -0.016 5.466 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.989 -0.821 4.158 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.153 0.509 2.493 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.860 1.532 3.729 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.562 -0.029 3.085 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.010 -0.524 4.673 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.366 -2.094 3.401 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.358 -1.779 1.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.055 -3.777 3.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.289 -2.611 3.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.358 -2.875 4.573 1.00 0.00 H new ATOM 909 N GLN A 60 9.981 0.313 2.703 1.00 0.00 N ATOM 910 CA GLN A 60 9.322 0.360 1.403 1.00 0.00 C ATOM 911 C GLN A 60 8.397 1.568 1.304 1.00 0.00 C ATOM 912 O GLN A 60 8.420 2.303 0.316 1.00 0.00 O ATOM 913 CB GLN A 60 8.528 -0.926 1.163 1.00 0.00 C ATOM 914 CG GLN A 60 7.608 -1.296 2.315 1.00 0.00 C ATOM 915 CD GLN A 60 6.949 -2.648 2.125 1.00 0.00 C ATOM 916 OE1 GLN A 60 7.064 -3.532 2.974 1.00 0.00 O ATOM 917 NE2 GLN A 60 6.254 -2.816 1.006 1.00 0.00 N ATOM 0 H GLN A 60 9.879 -0.574 3.197 1.00 0.00 H new ATOM 0 HA GLN A 60 10.092 0.452 0.637 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.934 -0.813 0.256 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.224 -1.746 0.987 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.179 -1.302 3.243 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.838 -0.532 2.419 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.185 -2.056 0.329 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.789 -3.705 0.823 1.00 0.00 H new ATOM 926 N LYS A 61 7.583 1.769 2.334 1.00 0.00 N ATOM 927 CA LYS A 61 6.649 2.889 2.365 1.00 0.00 C ATOM 928 C LYS A 61 7.395 4.220 2.327 1.00 0.00 C ATOM 929 O LYS A 61 7.009 5.137 1.602 1.00 0.00 O ATOM 930 CB LYS A 61 5.776 2.818 3.620 1.00 0.00 C ATOM 931 CG LYS A 61 5.121 1.464 3.829 1.00 0.00 C ATOM 932 CD LYS A 61 4.405 1.391 5.167 1.00 0.00 C ATOM 933 CE LYS A 61 2.954 1.831 5.049 1.00 0.00 C ATOM 934 NZ LYS A 61 2.085 1.150 6.047 1.00 0.00 N ATOM 0 H LYS A 61 7.551 1.171 3.159 1.00 0.00 H new ATOM 0 HA LYS A 61 6.012 2.823 1.483 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.387 3.055 4.491 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.001 3.582 3.557 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.410 1.275 3.024 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.878 0.681 3.777 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.447 0.370 5.548 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.920 2.023 5.891 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.889 2.910 5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.590 1.616 4.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.104 1.477 5.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.126 0.121 5.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.416 1.375 7.007 1.00 0.00 H new ATOM 948 N TRP A 62 8.463 4.316 3.109 1.00 0.00 N ATOM 949 CA TRP A 62 9.263 5.535 3.163 1.00 0.00 C ATOM 950 C TRP A 62 9.884 5.839 1.804 1.00 0.00 C ATOM 951 O TRP A 62 9.836 6.973 1.330 1.00 0.00 O ATOM 952 CB TRP A 62 10.360 5.403 4.221 1.00 0.00 C ATOM 953 CG TRP A 62 11.130 6.671 4.440 1.00 0.00 C ATOM 954 CD1 TRP A 62 10.803 7.693 5.285 1.00 0.00 C ATOM 955 CD2 TRP A 62 12.353 7.051 3.802 1.00 0.00 C ATOM 956 NE1 TRP A 62 11.750 8.685 5.210 1.00 0.00 N ATOM 957 CE2 TRP A 62 12.712 8.316 4.308 1.00 0.00 C ATOM 958 CE3 TRP A 62 13.182 6.446 2.853 1.00 0.00 C ATOM 959 CZ2 TRP A 62 13.862 8.984 3.896 1.00 0.00 C ATOM 960 CZ3 TRP A 62 14.323 7.111 2.445 1.00 0.00 C ATOM 961 CH2 TRP A 62 14.655 8.368 2.967 1.00 0.00 C ATOM 0 H TRP A 62 8.796 3.566 3.714 1.00 0.00 H new ATOM 0 HA TRP A 62 8.605 6.361 3.433 1.00 0.00 H new ATOM 0 HB2 TRP A 62 9.910 5.092 5.164 1.00 0.00 H new ATOM 0 HB3 TRP A 62 11.050 4.614 3.922 1.00 0.00 H new ATOM 0 HD1 TRP A 62 9.929 7.717 5.919 1.00 0.00 H new ATOM 0 HE1 TRP A 62 11.739 9.556 5.741 1.00 0.00 H new ATOM 0 HE3 TRP A 62 12.935 5.477 2.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 14.119 9.954 4.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 14.970 6.654 1.711 1.00 0.00 H new ATOM 0 HH2 TRP A 62 15.555 8.860 2.629 1.00 0.00 H new ATOM 972 N GLU A 63 10.466 4.818 1.183 1.00 0.00 N ATOM 973 CA GLU A 63 11.097 4.978 -0.122 1.00 0.00 C ATOM 974 C GLU A 63 10.094 5.488 -1.153 1.00 0.00 C ATOM 975 O GLU A 63 10.255 6.576 -1.706 1.00 0.00 O ATOM 976 CB GLU A 63 11.695 3.650 -0.591 1.00 0.00 C ATOM 977 CG GLU A 63 13.023 3.314 0.067 1.00 0.00 C ATOM 978 CD GLU A 63 13.906 2.447 -0.809 1.00 0.00 C ATOM 979 OE1 GLU A 63 14.118 2.813 -1.984 1.00 0.00 O ATOM 980 OE2 GLU A 63 14.384 1.403 -0.320 1.00 0.00 O ATOM 0 H GLU A 63 10.514 3.872 1.562 1.00 0.00 H new ATOM 0 HA GLU A 63 11.896 5.713 -0.022 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.985 2.849 -0.386 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.833 3.685 -1.672 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.550 4.238 0.306 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.837 2.800 1.010 1.00 0.00 H new ATOM 987 N ALA A 64 9.059 4.694 -1.405 1.00 0.00 N ATOM 988 CA ALA A 64 8.028 5.065 -2.368 1.00 0.00 C ATOM 989 C ALA A 64 7.705 6.553 -2.279 1.00 0.00 C ATOM 990 O ALA A 64 7.845 7.287 -3.257 1.00 0.00 O ATOM 991 CB ALA A 64 6.773 4.235 -2.143 1.00 0.00 C ATOM 0 H ALA A 64 8.912 3.790 -0.956 1.00 0.00 H new ATOM 0 HA ALA A 64 8.409 4.862 -3.369 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.012 4.522 -2.868 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.009 3.178 -2.264 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.397 4.409 -1.135 1.00 0.00 H new ATOM 997 N TRP A 65 7.271 6.990 -1.102 1.00 0.00 N ATOM 998 CA TRP A 65 6.926 8.390 -0.887 1.00 0.00 C ATOM 999 C TRP A 65 8.150 9.284 -1.055 1.00 0.00 C ATOM 1000 O TRP A 65 8.066 10.366 -1.637 1.00 0.00 O ATOM 1001 CB TRP A 65 6.328 8.581 0.507 1.00 0.00 C ATOM 1002 CG TRP A 65 6.119 10.020 0.873 1.00 0.00 C ATOM 1003 CD1 TRP A 65 5.826 11.047 0.022 1.00 0.00 C ATOM 1004 CD2 TRP A 65 6.191 10.590 2.184 1.00 0.00 C ATOM 1005 NE1 TRP A 65 5.711 12.222 0.726 1.00 0.00 N ATOM 1006 CE2 TRP A 65 5.929 11.968 2.054 1.00 0.00 C ATOM 1007 CE3 TRP A 65 6.448 10.071 3.455 1.00 0.00 C ATOM 1008 CZ2 TRP A 65 5.919 12.830 3.147 1.00 0.00 C ATOM 1009 CZ3 TRP A 65 6.439 10.928 4.539 1.00 0.00 C ATOM 1010 CH2 TRP A 65 6.175 12.295 4.380 1.00 0.00 C ATOM 0 H TRP A 65 7.150 6.395 -0.282 1.00 0.00 H new ATOM 0 HA TRP A 65 6.185 8.675 -1.634 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.373 8.058 0.559 1.00 0.00 H new ATOM 0 HB3 TRP A 65 6.986 8.118 1.243 1.00 0.00 H new ATOM 0 HD1 TRP A 65 5.703 10.950 -1.047 1.00 0.00 H new ATOM 0 HE1 TRP A 65 5.498 13.135 0.324 1.00 0.00 H new ATOM 0 HE3 TRP A 65 6.650 9.018 3.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 5.716 13.884 3.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 6.639 10.537 5.526 1.00 0.00 H new ATOM 0 HH2 TRP A 65 6.174 12.939 5.247 1.00 0.00 H new ATOM 1021 N LYS A 66 9.287 8.826 -0.543 1.00 0.00 N ATOM 1022 CA LYS A 66 10.530 9.583 -0.638 1.00 0.00 C ATOM 1023 C LYS A 66 10.821 9.972 -2.083 1.00 0.00 C ATOM 1024 O LYS A 66 11.065 11.140 -2.384 1.00 0.00 O ATOM 1025 CB LYS A 66 11.694 8.764 -0.074 1.00 0.00 C ATOM 1026 CG LYS A 66 13.057 9.374 -0.352 1.00 0.00 C ATOM 1027 CD LYS A 66 13.286 10.627 0.477 1.00 0.00 C ATOM 1028 CE LYS A 66 14.238 11.588 -0.218 1.00 0.00 C ATOM 1029 NZ LYS A 66 13.515 12.531 -1.117 1.00 0.00 N ATOM 0 H LYS A 66 9.374 7.933 -0.057 1.00 0.00 H new ATOM 0 HA LYS A 66 10.417 10.495 -0.051 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.565 8.659 1.003 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.661 7.761 -0.498 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.835 8.643 -0.132 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.139 9.617 -1.411 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.333 11.124 0.658 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.692 10.352 1.450 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.794 12.153 0.530 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.968 11.022 -0.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 14.155 12.850 -1.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.695 12.050 -1.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 13.190 13.353 -0.569 1.00 0.00 H new ATOM 1043 N ALA A 67 10.792 8.986 -2.974 1.00 0.00 N ATOM 1044 CA ALA A 67 11.049 9.227 -4.389 1.00 0.00 C ATOM 1045 C ALA A 67 10.274 10.441 -4.889 1.00 0.00 C ATOM 1046 O ALA A 67 10.703 11.124 -5.820 1.00 0.00 O ATOM 1047 CB ALA A 67 10.691 7.995 -5.207 1.00 0.00 C ATOM 0 H ALA A 67 10.593 8.013 -2.741 1.00 0.00 H new ATOM 0 HA ALA A 67 12.112 9.434 -4.510 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.888 8.189 -6.261 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.294 7.150 -4.875 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.635 7.763 -5.072 1.00 0.00 H new ATOM 1053 N LEU A 68 9.131 10.705 -4.266 1.00 0.00 N ATOM 1054 CA LEU A 68 8.295 11.837 -4.648 1.00 0.00 C ATOM 1055 C LEU A 68 8.718 13.101 -3.907 1.00 0.00 C ATOM 1056 O LEU A 68 7.889 13.795 -3.320 1.00 0.00 O ATOM 1057 CB LEU A 68 6.824 11.531 -4.360 1.00 0.00 C ATOM 1058 CG LEU A 68 6.286 10.220 -4.935 1.00 0.00 C ATOM 1059 CD1 LEU A 68 4.834 10.017 -4.533 1.00 0.00 C ATOM 1060 CD2 LEU A 68 6.429 10.204 -6.450 1.00 0.00 C ATOM 0 H LEU A 68 8.762 10.150 -3.494 1.00 0.00 H new ATOM 0 HA LEU A 68 8.422 12.006 -5.717 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.682 11.516 -3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.220 12.350 -4.750 1.00 0.00 H new ATOM 0 HG LEU A 68 6.873 9.398 -4.526 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.468 9.079 -4.951 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.759 9.983 -3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.232 10.843 -4.913 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.041 9.264 -6.842 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.867 11.035 -6.877 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.481 10.302 -6.717 1.00 0.00 H new ATOM 1072 N GLY A 69 10.014 13.395 -3.940 1.00 0.00 N ATOM 1073 CA GLY A 69 10.524 14.577 -3.269 1.00 0.00 C ATOM 1074 C GLY A 69 9.987 15.861 -3.869 1.00 0.00 C ATOM 1075 O GLY A 69 9.423 16.696 -3.162 1.00 0.00 O ATOM 0 H GLY A 69 10.720 12.836 -4.419 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.259 14.534 -2.213 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.613 14.581 -3.324 1.00 0.00 H new ATOM 1079 N ASP A 70 10.164 16.021 -5.176 1.00 0.00 N ATOM 1080 CA ASP A 70 9.693 17.214 -5.871 1.00 0.00 C ATOM 1081 C ASP A 70 8.425 16.915 -6.664 1.00 0.00 C ATOM 1082 O ASP A 70 8.243 17.415 -7.774 1.00 0.00 O ATOM 1083 CB ASP A 70 10.780 17.747 -6.805 1.00 0.00 C ATOM 1084 CG ASP A 70 11.164 16.747 -7.878 1.00 0.00 C ATOM 1085 OD1 ASP A 70 11.430 15.578 -7.530 1.00 0.00 O ATOM 1086 OD2 ASP A 70 11.199 17.133 -9.065 1.00 0.00 O ATOM 0 H ASP A 70 10.630 15.340 -5.776 1.00 0.00 H new ATOM 0 HA ASP A 70 9.462 17.973 -5.124 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.431 18.665 -7.277 1.00 0.00 H new ATOM 0 HB3 ASP A 70 11.663 18.005 -6.220 1.00 0.00 H new ATOM 1091 N SER A 71 7.551 16.097 -6.086 1.00 0.00 N ATOM 1092 CA SER A 71 6.301 15.728 -6.741 1.00 0.00 C ATOM 1093 C SER A 71 5.238 16.801 -6.526 1.00 0.00 C ATOM 1094 O SER A 71 5.492 17.823 -5.889 1.00 0.00 O ATOM 1095 CB SER A 71 5.800 14.384 -6.210 1.00 0.00 C ATOM 1096 OG SER A 71 6.425 13.305 -6.884 1.00 0.00 O ATOM 0 H SER A 71 7.685 15.677 -5.166 1.00 0.00 H new ATOM 0 HA SER A 71 6.492 15.639 -7.810 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.000 14.314 -5.141 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.719 14.319 -6.337 1.00 0.00 H new ATOM 0 HG SER A 71 5.893 13.057 -7.669 1.00 0.00 H new ATOM 1102 N SER A 72 4.045 16.559 -7.061 1.00 0.00 N ATOM 1103 CA SER A 72 2.943 17.505 -6.931 1.00 0.00 C ATOM 1104 C SER A 72 1.716 16.830 -6.327 1.00 0.00 C ATOM 1105 O SER A 72 1.514 15.622 -6.455 1.00 0.00 O ATOM 1106 CB SER A 72 2.591 18.101 -8.296 1.00 0.00 C ATOM 1107 OG SER A 72 3.445 19.186 -8.614 1.00 0.00 O ATOM 0 H SER A 72 3.817 15.716 -7.588 1.00 0.00 H new ATOM 0 HA SER A 72 3.261 18.306 -6.264 1.00 0.00 H new ATOM 0 HB2 SER A 72 2.673 17.332 -9.064 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.555 18.439 -8.293 1.00 0.00 H new ATOM 0 HG SER A 72 3.201 19.548 -9.491 1.00 0.00 H new ATOM 1113 N PRO A 73 0.875 17.627 -5.651 1.00 0.00 N ATOM 1114 CA PRO A 73 -0.347 17.130 -5.013 1.00 0.00 C ATOM 1115 C PRO A 73 -1.404 16.714 -6.031 1.00 0.00 C ATOM 1116 O PRO A 73 -1.947 15.611 -5.960 1.00 0.00 O ATOM 1117 CB PRO A 73 -0.834 18.329 -4.197 1.00 0.00 C ATOM 1118 CG PRO A 73 -0.269 19.518 -4.895 1.00 0.00 C ATOM 1119 CD PRO A 73 1.053 19.076 -5.459 1.00 0.00 C ATOM 0 HA PRO A 73 -0.161 16.238 -4.415 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.923 18.370 -4.164 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.486 18.273 -3.166 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.936 19.860 -5.686 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.140 20.351 -4.204 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.278 19.581 -6.398 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.874 19.293 -4.776 1.00 0.00 H new ATOM 1127 N SER A 74 -1.690 17.602 -6.977 1.00 0.00 N ATOM 1128 CA SER A 74 -2.685 17.328 -8.007 1.00 0.00 C ATOM 1129 C SER A 74 -2.223 16.196 -8.921 1.00 0.00 C ATOM 1130 O SER A 74 -3.026 15.376 -9.364 1.00 0.00 O ATOM 1131 CB SER A 74 -2.955 18.587 -8.833 1.00 0.00 C ATOM 1132 OG SER A 74 -2.889 19.750 -8.026 1.00 0.00 O ATOM 0 H SER A 74 -1.247 18.518 -7.052 1.00 0.00 H new ATOM 0 HA SER A 74 -3.607 17.021 -7.514 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.227 18.659 -9.641 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.939 18.518 -9.297 1.00 0.00 H new ATOM 0 HG SER A 74 -3.063 20.541 -8.577 1.00 0.00 H new ATOM 1138 N GLN A 75 -0.923 16.160 -9.196 1.00 0.00 N ATOM 1139 CA GLN A 75 -0.354 15.130 -10.057 1.00 0.00 C ATOM 1140 C GLN A 75 -0.327 13.781 -9.347 1.00 0.00 C ATOM 1141 O GLN A 75 -0.271 12.732 -9.988 1.00 0.00 O ATOM 1142 CB GLN A 75 1.060 15.521 -10.489 1.00 0.00 C ATOM 1143 CG GLN A 75 1.124 16.840 -11.242 1.00 0.00 C ATOM 1144 CD GLN A 75 2.485 17.096 -11.857 1.00 0.00 C ATOM 1145 OE1 GLN A 75 3.349 16.218 -11.869 1.00 0.00 O ATOM 1146 NE2 GLN A 75 2.685 18.304 -12.372 1.00 0.00 N ATOM 0 H GLN A 75 -0.245 16.831 -8.836 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.985 15.042 -10.941 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.696 15.585 -9.606 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.469 14.732 -11.120 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.368 16.842 -12.028 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.878 17.655 -10.561 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.941 19.001 -12.340 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.582 18.534 -12.799 1.00 0.00 H new ATOM 1155 N ALA A 76 -0.366 13.816 -8.019 1.00 0.00 N ATOM 1156 CA ALA A 76 -0.347 12.596 -7.221 1.00 0.00 C ATOM 1157 C ALA A 76 -1.732 11.961 -7.156 1.00 0.00 C ATOM 1158 O ALA A 76 -1.862 10.747 -7.005 1.00 0.00 O ATOM 1159 CB ALA A 76 0.168 12.889 -5.820 1.00 0.00 C ATOM 0 H ALA A 76 -0.411 14.676 -7.473 1.00 0.00 H new ATOM 0 HA ALA A 76 0.327 11.887 -7.702 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.177 11.969 -5.236 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.180 13.290 -5.881 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.483 13.619 -5.338 1.00 0.00 H new ATOM 1165 N MET A 77 -2.764 12.791 -7.271 1.00 0.00 N ATOM 1166 CA MET A 77 -4.140 12.310 -7.225 1.00 0.00 C ATOM 1167 C MET A 77 -4.547 11.700 -8.563 1.00 0.00 C ATOM 1168 O MET A 77 -5.372 10.789 -8.614 1.00 0.00 O ATOM 1169 CB MET A 77 -5.091 13.452 -6.862 1.00 0.00 C ATOM 1170 CG MET A 77 -4.809 14.067 -5.501 1.00 0.00 C ATOM 1171 SD MET A 77 -6.131 15.159 -4.945 1.00 0.00 S ATOM 1172 CE MET A 77 -5.188 16.575 -4.384 1.00 0.00 C ATOM 0 H MET A 77 -2.673 13.799 -7.397 1.00 0.00 H new ATOM 0 HA MET A 77 -4.203 11.538 -6.459 1.00 0.00 H new ATOM 0 HB2 MET A 77 -5.021 14.228 -7.624 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.115 13.080 -6.879 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.668 13.271 -4.769 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.875 14.627 -5.546 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.868 17.340 -4.009 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.512 16.269 -3.586 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.610 16.979 -5.215 1.00 0.00 H new ATOM 1182 N GLN A 78 -3.963 12.210 -9.643 1.00 0.00 N ATOM 1183 CA GLN A 78 -4.267 11.715 -10.981 1.00 0.00 C ATOM 1184 C GLN A 78 -4.021 10.213 -11.074 1.00 0.00 C ATOM 1185 O GLN A 78 -4.905 9.453 -11.469 1.00 0.00 O ATOM 1186 CB GLN A 78 -3.422 12.449 -12.023 1.00 0.00 C ATOM 1187 CG GLN A 78 -3.761 13.925 -12.152 1.00 0.00 C ATOM 1188 CD GLN A 78 -3.478 14.470 -13.538 1.00 0.00 C ATOM 1189 OE1 GLN A 78 -2.336 14.468 -13.997 1.00 0.00 O ATOM 1190 NE2 GLN A 78 -4.520 14.941 -14.213 1.00 0.00 N ATOM 0 H GLN A 78 -3.277 12.965 -9.618 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.322 11.904 -11.181 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.369 12.348 -11.761 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.557 11.968 -12.992 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.815 14.074 -11.915 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.187 14.491 -11.419 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.450 14.923 -13.794 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.391 15.321 -15.151 1.00 0.00 H new ATOM 1199 N GLU A 79 -2.813 9.792 -10.710 1.00 0.00 N ATOM 1200 CA GLU A 79 -2.451 8.380 -10.755 1.00 0.00 C ATOM 1201 C GLU A 79 -3.087 7.619 -9.595 1.00 0.00 C ATOM 1202 O GLU A 79 -3.540 6.485 -9.756 1.00 0.00 O ATOM 1203 CB GLU A 79 -0.930 8.219 -10.713 1.00 0.00 C ATOM 1204 CG GLU A 79 -0.217 8.873 -11.884 1.00 0.00 C ATOM 1205 CD GLU A 79 -0.579 8.240 -13.214 1.00 0.00 C ATOM 1206 OE1 GLU A 79 -0.128 7.105 -13.474 1.00 0.00 O ATOM 1207 OE2 GLU A 79 -1.313 8.881 -13.995 1.00 0.00 O ATOM 0 H GLU A 79 -2.070 10.408 -10.381 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.827 7.964 -11.690 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.553 8.647 -9.784 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.686 7.157 -10.697 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.467 9.934 -11.911 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.860 8.803 -11.734 1.00 0.00 H new ATOM 1214 N TYR A 80 -3.115 8.249 -8.426 1.00 0.00 N ATOM 1215 CA TYR A 80 -3.692 7.631 -7.238 1.00 0.00 C ATOM 1216 C TYR A 80 -5.117 7.158 -7.507 1.00 0.00 C ATOM 1217 O TYR A 80 -5.536 6.106 -7.023 1.00 0.00 O ATOM 1218 CB TYR A 80 -3.682 8.617 -6.068 1.00 0.00 C ATOM 1219 CG TYR A 80 -4.316 8.069 -4.810 1.00 0.00 C ATOM 1220 CD1 TYR A 80 -5.698 7.992 -4.682 1.00 0.00 C ATOM 1221 CD2 TYR A 80 -3.534 7.631 -3.748 1.00 0.00 C ATOM 1222 CE1 TYR A 80 -6.282 7.494 -3.534 1.00 0.00 C ATOM 1223 CE2 TYR A 80 -4.110 7.129 -2.597 1.00 0.00 C ATOM 1224 CZ TYR A 80 -5.484 7.063 -2.494 1.00 0.00 C ATOM 1225 OH TYR A 80 -6.061 6.566 -1.348 1.00 0.00 O ATOM 0 H TYR A 80 -2.745 9.187 -8.276 1.00 0.00 H new ATOM 0 HA TYR A 80 -3.084 6.764 -6.979 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.652 8.901 -5.852 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -4.208 9.525 -6.364 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.326 8.327 -5.494 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -2.458 7.684 -3.824 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.358 7.442 -3.451 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.488 6.790 -1.782 1.00 0.00 H new ATOM 0 HH TYR A 80 -5.360 6.306 -0.715 1.00 0.00 H new ATOM 1235 N ILE A 81 -5.857 7.943 -8.283 1.00 0.00 N ATOM 1236 CA ILE A 81 -7.235 7.606 -8.618 1.00 0.00 C ATOM 1237 C ILE A 81 -7.292 6.623 -9.783 1.00 0.00 C ATOM 1238 O ILE A 81 -7.789 5.506 -9.642 1.00 0.00 O ATOM 1239 CB ILE A 81 -8.050 8.861 -8.980 1.00 0.00 C ATOM 1240 CG1 ILE A 81 -8.466 9.609 -7.711 1.00 0.00 C ATOM 1241 CG2 ILE A 81 -9.273 8.480 -9.801 1.00 0.00 C ATOM 1242 CD1 ILE A 81 -8.582 11.105 -7.901 1.00 0.00 C ATOM 0 H ILE A 81 -5.525 8.817 -8.691 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.671 7.143 -7.733 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.425 9.521 -9.581 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.424 9.219 -7.367 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.739 9.406 -6.925 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.839 9.378 -10.049 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.955 7.986 -10.719 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.902 7.803 -9.224 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.880 11.569 -6.961 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.619 11.508 -8.215 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -9.331 11.318 -8.664 1.00 0.00 H new ATOM 1254 N ALA A 82 -6.778 7.047 -10.933 1.00 0.00 N ATOM 1255 CA ALA A 82 -6.767 6.204 -12.122 1.00 0.00 C ATOM 1256 C ALA A 82 -6.609 4.733 -11.750 1.00 0.00 C ATOM 1257 O ALA A 82 -7.436 3.898 -12.117 1.00 0.00 O ATOM 1258 CB ALA A 82 -5.652 6.634 -13.064 1.00 0.00 C ATOM 0 H ALA A 82 -6.364 7.970 -11.066 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.724 6.323 -12.631 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.656 5.996 -13.948 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.809 7.670 -13.364 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.692 6.545 -12.556 1.00 0.00 H new ATOM 1264 N VAL A 83 -5.543 4.423 -11.020 1.00 0.00 N ATOM 1265 CA VAL A 83 -5.277 3.053 -10.598 1.00 0.00 C ATOM 1266 C VAL A 83 -6.546 2.380 -10.085 1.00 0.00 C ATOM 1267 O VAL A 83 -6.963 1.342 -10.600 1.00 0.00 O ATOM 1268 CB VAL A 83 -4.202 3.003 -9.496 1.00 0.00 C ATOM 1269 CG1 VAL A 83 -4.517 4.006 -8.397 1.00 0.00 C ATOM 1270 CG2 VAL A 83 -4.086 1.596 -8.928 1.00 0.00 C ATOM 0 H VAL A 83 -4.849 5.102 -10.708 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.913 2.517 -11.475 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.242 3.272 -9.937 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.747 3.956 -7.627 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.545 5.011 -8.818 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.486 3.771 -7.956 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.322 1.579 -8.151 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.043 1.295 -8.502 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.809 0.904 -9.724 1.00 0.00 H new ATOM 1280 N VAL A 84 -7.157 2.978 -9.068 1.00 0.00 N ATOM 1281 CA VAL A 84 -8.380 2.438 -8.485 1.00 0.00 C ATOM 1282 C VAL A 84 -9.410 2.125 -9.564 1.00 0.00 C ATOM 1283 O VAL A 84 -10.281 1.274 -9.379 1.00 0.00 O ATOM 1284 CB VAL A 84 -8.998 3.417 -7.470 1.00 0.00 C ATOM 1285 CG1 VAL A 84 -7.907 4.158 -6.710 1.00 0.00 C ATOM 1286 CG2 VAL A 84 -9.929 4.395 -8.171 1.00 0.00 C ATOM 0 H VAL A 84 -6.825 3.837 -8.630 1.00 0.00 H new ATOM 0 HA VAL A 84 -8.106 1.518 -7.970 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.584 2.845 -6.751 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -8.363 4.845 -5.997 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.285 3.441 -6.175 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -7.291 4.719 -7.413 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.357 5.079 -7.438 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.368 4.963 -8.913 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -10.730 3.845 -8.664 1.00 0.00 H new ATOM 1296 N LYS A 85 -9.306 2.817 -10.693 1.00 0.00 N ATOM 1297 CA LYS A 85 -10.227 2.613 -11.805 1.00 0.00 C ATOM 1298 C LYS A 85 -9.821 1.397 -12.631 1.00 0.00 C ATOM 1299 O LYS A 85 -10.672 0.683 -13.164 1.00 0.00 O ATOM 1300 CB LYS A 85 -10.267 3.857 -12.696 1.00 0.00 C ATOM 1301 CG LYS A 85 -10.488 5.148 -11.928 1.00 0.00 C ATOM 1302 CD LYS A 85 -10.387 6.362 -12.836 1.00 0.00 C ATOM 1303 CE LYS A 85 -11.710 6.650 -13.530 1.00 0.00 C ATOM 1304 NZ LYS A 85 -11.847 5.889 -14.802 1.00 0.00 N ATOM 0 H LYS A 85 -8.592 3.525 -10.862 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.221 2.436 -11.393 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -9.330 3.928 -13.248 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.063 3.741 -13.432 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.470 5.127 -11.455 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.751 5.228 -11.129 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -10.085 7.231 -12.251 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.611 6.195 -13.583 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -12.533 6.393 -12.863 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -11.787 7.718 -13.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -12.377 6.459 -15.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.903 5.675 -15.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -12.357 5.001 -14.622 1.00 0.00 H new ATOM 1318 N LYS A 86 -8.517 1.164 -12.733 1.00 0.00 N ATOM 1319 CA LYS A 86 -7.998 0.032 -13.491 1.00 0.00 C ATOM 1320 C LYS A 86 -8.401 -1.288 -12.842 1.00 0.00 C ATOM 1321 O LYS A 86 -8.506 -2.315 -13.514 1.00 0.00 O ATOM 1322 CB LYS A 86 -6.474 0.117 -13.595 1.00 0.00 C ATOM 1323 CG LYS A 86 -5.990 1.079 -14.667 1.00 0.00 C ATOM 1324 CD LYS A 86 -6.038 2.519 -14.187 1.00 0.00 C ATOM 1325 CE LYS A 86 -7.294 3.227 -14.674 1.00 0.00 C ATOM 1326 NZ LYS A 86 -7.359 3.282 -16.161 1.00 0.00 N ATOM 0 H LYS A 86 -7.799 1.745 -12.300 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.427 0.070 -14.492 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.069 0.426 -12.631 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.076 -0.876 -13.804 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.969 0.824 -14.952 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.607 0.971 -15.559 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.005 2.542 -13.098 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.157 3.052 -14.544 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.174 2.710 -14.291 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.319 4.240 -14.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.890 4.127 -16.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.395 3.327 -16.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.837 2.431 -16.519 1.00 0.00 H new ATOM 1340 N LEU A 87 -8.626 -1.254 -11.533 1.00 0.00 N ATOM 1341 CA LEU A 87 -9.019 -2.449 -10.793 1.00 0.00 C ATOM 1342 C LEU A 87 -10.532 -2.638 -10.829 1.00 0.00 C ATOM 1343 O LEU A 87 -11.023 -3.752 -11.013 1.00 0.00 O ATOM 1344 CB LEU A 87 -8.539 -2.355 -9.344 1.00 0.00 C ATOM 1345 CG LEU A 87 -7.224 -1.609 -9.118 1.00 0.00 C ATOM 1346 CD1 LEU A 87 -7.165 -1.045 -7.707 1.00 0.00 C ATOM 1347 CD2 LEU A 87 -6.039 -2.528 -9.377 1.00 0.00 C ATOM 0 H LEU A 87 -8.543 -0.413 -10.962 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.553 -3.312 -11.269 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.316 -1.866 -8.756 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.431 -3.366 -8.952 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.175 -0.778 -9.821 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.222 -0.518 -7.565 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.994 -0.353 -7.557 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.237 -1.860 -6.986 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.111 -1.981 -9.211 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.084 -3.380 -8.698 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.072 -2.883 -10.407 1.00 0.00 H new ATOM 1359 N ASP A 88 -11.264 -1.544 -10.655 1.00 0.00 N ATOM 1360 CA ASP A 88 -12.722 -1.589 -10.671 1.00 0.00 C ATOM 1361 C ASP A 88 -13.289 -0.491 -11.566 1.00 0.00 C ATOM 1362 O ASP A 88 -13.519 0.639 -11.134 1.00 0.00 O ATOM 1363 CB ASP A 88 -13.273 -1.443 -9.252 1.00 0.00 C ATOM 1364 CG ASP A 88 -14.787 -1.514 -9.209 1.00 0.00 C ATOM 1365 OD1 ASP A 88 -15.436 -0.487 -9.497 1.00 0.00 O ATOM 1366 OD2 ASP A 88 -15.322 -2.595 -8.886 1.00 0.00 O ATOM 0 H ASP A 88 -10.872 -0.615 -10.501 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.027 -2.555 -11.073 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.857 -2.229 -8.621 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.945 -0.491 -8.834 1.00 0.00 H new ATOM 1371 N PRO A 89 -13.521 -0.829 -12.843 1.00 0.00 N ATOM 1372 CA PRO A 89 -14.064 0.114 -13.825 1.00 0.00 C ATOM 1373 C PRO A 89 -15.523 0.461 -13.550 1.00 0.00 C ATOM 1374 O PRO A 89 -16.052 1.431 -14.091 1.00 0.00 O ATOM 1375 CB PRO A 89 -13.934 -0.641 -15.151 1.00 0.00 C ATOM 1376 CG PRO A 89 -13.943 -2.081 -14.769 1.00 0.00 C ATOM 1377 CD PRO A 89 -13.270 -2.158 -13.426 1.00 0.00 C ATOM 0 HA PRO A 89 -13.537 1.068 -13.809 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -14.758 -0.405 -15.824 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -13.013 -0.375 -15.670 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -14.962 -2.465 -14.717 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -13.413 -2.684 -15.506 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -13.691 -2.953 -12.810 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -12.203 -2.360 -13.522 1.00 0.00 H new ATOM 1385 N GLY A 90 -16.168 -0.338 -12.706 1.00 0.00 N ATOM 1386 CA GLY A 90 -17.560 -0.098 -12.374 1.00 0.00 C ATOM 1387 C GLY A 90 -17.723 0.914 -11.257 1.00 0.00 C ATOM 1388 O GLY A 90 -18.720 0.894 -10.534 1.00 0.00 O ATOM 0 H GLY A 90 -15.751 -1.147 -12.246 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -18.086 0.256 -13.261 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -18.028 -1.038 -12.080 1.00 0.00 H new ATOM 1392 N TRP A 91 -16.743 1.798 -11.113 1.00 0.00 N ATOM 1393 CA TRP A 91 -16.782 2.820 -10.074 1.00 0.00 C ATOM 1394 C TRP A 91 -17.133 4.182 -10.664 1.00 0.00 C ATOM 1395 O TRP A 91 -16.478 4.654 -11.593 1.00 0.00 O ATOM 1396 CB TRP A 91 -15.436 2.895 -9.352 1.00 0.00 C ATOM 1397 CG TRP A 91 -15.337 4.046 -8.397 1.00 0.00 C ATOM 1398 CD1 TRP A 91 -16.214 4.360 -7.399 1.00 0.00 C ATOM 1399 CD2 TRP A 91 -14.303 5.036 -8.352 1.00 0.00 C ATOM 1400 NE1 TRP A 91 -15.788 5.486 -6.736 1.00 0.00 N ATOM 1401 CE2 TRP A 91 -14.618 5.919 -7.301 1.00 0.00 C ATOM 1402 CE3 TRP A 91 -13.142 5.261 -9.096 1.00 0.00 C ATOM 1403 CZ2 TRP A 91 -13.813 7.008 -6.978 1.00 0.00 C ATOM 1404 CZ3 TRP A 91 -12.344 6.342 -8.774 1.00 0.00 C ATOM 1405 CH2 TRP A 91 -12.682 7.205 -7.723 1.00 0.00 C ATOM 0 H TRP A 91 -15.911 1.828 -11.703 1.00 0.00 H new ATOM 0 HA TRP A 91 -17.555 2.545 -9.357 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -15.272 1.965 -8.807 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -14.639 2.976 -10.091 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -17.111 3.805 -7.165 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -16.266 5.928 -5.950 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -12.873 4.602 -9.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -14.072 7.674 -6.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -11.444 6.525 -9.342 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -12.038 8.042 -7.497 1.00 0.00 H new ATOM 1416 N ASN A 92 -18.170 4.809 -10.118 1.00 0.00 N ATOM 1417 CA ASN A 92 -18.607 6.118 -10.591 1.00 0.00 C ATOM 1418 C ASN A 92 -18.837 7.070 -9.421 1.00 0.00 C ATOM 1419 O ASN A 92 -19.914 7.115 -8.827 1.00 0.00 O ATOM 1420 CB ASN A 92 -19.890 5.983 -11.413 1.00 0.00 C ATOM 1421 CG ASN A 92 -20.944 5.152 -10.708 1.00 0.00 C ATOM 1422 OD1 ASN A 92 -20.816 4.842 -9.523 1.00 0.00 O ATOM 1423 ND2 ASN A 92 -21.994 4.786 -11.435 1.00 0.00 N ATOM 0 H ASN A 92 -18.723 4.432 -9.348 1.00 0.00 H new ATOM 0 HA ASN A 92 -17.820 6.530 -11.223 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -20.292 6.975 -11.620 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -19.656 5.527 -12.375 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -22.735 4.226 -11.014 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -22.059 5.065 -12.414 1.00 0.00 H new ATOM 1430 N PRO A 93 -17.801 7.852 -9.082 1.00 0.00 N ATOM 1431 CA PRO A 93 -17.865 8.819 -7.982 1.00 0.00 C ATOM 1432 C PRO A 93 -18.778 9.998 -8.300 1.00 0.00 C ATOM 1433 O PRO A 93 -19.567 10.427 -7.460 1.00 0.00 O ATOM 1434 CB PRO A 93 -16.416 9.287 -7.837 1.00 0.00 C ATOM 1435 CG PRO A 93 -15.810 9.069 -9.180 1.00 0.00 C ATOM 1436 CD PRO A 93 -16.487 7.852 -9.747 1.00 0.00 C ATOM 0 HA PRO A 93 -18.277 8.378 -7.074 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -16.366 10.336 -7.546 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -15.891 8.718 -7.069 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.963 9.936 -9.823 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.734 8.916 -9.102 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -16.585 7.915 -10.831 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -15.927 6.943 -9.530 1.00 0.00 H new ATOM 1444 N GLN A 94 -18.663 10.518 -9.518 1.00 0.00 N ATOM 1445 CA GLN A 94 -19.478 11.648 -9.946 1.00 0.00 C ATOM 1446 C GLN A 94 -20.755 11.171 -10.629 1.00 0.00 C ATOM 1447 O GLN A 94 -20.733 10.756 -11.788 1.00 0.00 O ATOM 1448 CB GLN A 94 -18.683 12.547 -10.895 1.00 0.00 C ATOM 1449 CG GLN A 94 -19.420 13.816 -11.292 1.00 0.00 C ATOM 1450 CD GLN A 94 -20.370 13.600 -12.454 1.00 0.00 C ATOM 1451 OE1 GLN A 94 -20.049 12.893 -13.410 1.00 0.00 O ATOM 1452 NE2 GLN A 94 -21.547 14.209 -12.378 1.00 0.00 N ATOM 0 H GLN A 94 -18.013 10.175 -10.225 1.00 0.00 H new ATOM 0 HA GLN A 94 -19.754 12.220 -9.060 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -17.740 12.818 -10.420 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -18.437 11.983 -11.795 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -19.980 14.190 -10.435 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -18.695 14.585 -11.559 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -21.771 14.786 -11.567 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -22.227 14.100 -13.130 1.00 0.00 H new ATOM 1461 N ILE A 95 -21.867 11.233 -9.903 1.00 0.00 N ATOM 1462 CA ILE A 95 -23.153 10.807 -10.440 1.00 0.00 C ATOM 1463 C ILE A 95 -24.244 11.825 -10.124 1.00 0.00 C ATOM 1464 O ILE A 95 -24.423 12.245 -8.981 1.00 0.00 O ATOM 1465 CB ILE A 95 -23.570 9.434 -9.881 1.00 0.00 C ATOM 1466 CG1 ILE A 95 -22.574 8.358 -10.317 1.00 0.00 C ATOM 1467 CG2 ILE A 95 -24.976 9.080 -10.342 1.00 0.00 C ATOM 1468 CD1 ILE A 95 -22.474 8.198 -11.818 1.00 0.00 C ATOM 0 H ILE A 95 -21.903 11.574 -8.942 1.00 0.00 H new ATOM 0 HA ILE A 95 -23.034 10.729 -11.521 1.00 0.00 H new ATOM 0 HB ILE A 95 -23.567 9.485 -8.792 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -21.589 8.604 -9.920 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -22.866 7.405 -9.877 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -25.257 8.107 -9.939 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -25.676 9.836 -9.987 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -25.003 9.043 -11.431 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -21.750 7.418 -12.053 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -23.449 7.921 -12.220 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -22.152 9.139 -12.264 1.00 0.00 H new ATOM 1480 N PRO A 96 -24.993 12.230 -11.160 1.00 0.00 N ATOM 1481 CA PRO A 96 -26.082 13.202 -11.018 1.00 0.00 C ATOM 1482 C PRO A 96 -27.272 12.631 -10.254 1.00 0.00 C ATOM 1483 O PRO A 96 -27.846 13.299 -9.395 1.00 0.00 O ATOM 1484 CB PRO A 96 -26.473 13.510 -12.465 1.00 0.00 C ATOM 1485 CG PRO A 96 -26.066 12.301 -13.234 1.00 0.00 C ATOM 1486 CD PRO A 96 -24.836 11.771 -12.550 1.00 0.00 C ATOM 0 HA PRO A 96 -25.774 14.080 -10.450 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -27.544 13.694 -12.555 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -25.964 14.402 -12.831 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -26.861 11.556 -13.240 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -25.857 12.552 -14.274 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -24.780 10.684 -12.610 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -23.925 12.163 -13.002 1.00 0.00 H new ATOM 1494 N GLU A 97 -27.636 11.393 -10.574 1.00 0.00 N ATOM 1495 CA GLU A 97 -28.759 10.734 -9.917 1.00 0.00 C ATOM 1496 C GLU A 97 -28.607 10.784 -8.400 1.00 0.00 C ATOM 1497 O GLU A 97 -27.499 10.916 -7.879 1.00 0.00 O ATOM 1498 CB GLU A 97 -28.869 9.281 -10.382 1.00 0.00 C ATOM 1499 CG GLU A 97 -30.271 8.708 -10.262 1.00 0.00 C ATOM 1500 CD GLU A 97 -30.291 7.194 -10.337 1.00 0.00 C ATOM 1501 OE1 GLU A 97 -29.269 6.569 -9.981 1.00 0.00 O ATOM 1502 OE2 GLU A 97 -31.327 6.633 -10.751 1.00 0.00 O ATOM 0 H GLU A 97 -27.170 10.827 -11.283 1.00 0.00 H new ATOM 0 HA GLU A 97 -29.670 11.266 -10.191 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -28.547 9.216 -11.421 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -28.184 8.668 -9.796 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -30.710 9.027 -9.317 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -30.895 9.116 -11.057 1.00 0.00 H new ATOM 1509 N LYS A 98 -29.728 10.678 -7.695 1.00 0.00 N ATOM 1510 CA LYS A 98 -29.722 10.710 -6.237 1.00 0.00 C ATOM 1511 C LYS A 98 -30.414 9.477 -5.663 1.00 0.00 C ATOM 1512 O LYS A 98 -31.610 9.271 -5.870 1.00 0.00 O ATOM 1513 CB LYS A 98 -30.413 11.978 -5.731 1.00 0.00 C ATOM 1514 CG LYS A 98 -30.119 12.290 -4.274 1.00 0.00 C ATOM 1515 CD LYS A 98 -28.723 12.863 -4.097 1.00 0.00 C ATOM 1516 CE LYS A 98 -28.405 13.113 -2.630 1.00 0.00 C ATOM 1517 NZ LYS A 98 -28.820 14.476 -2.197 1.00 0.00 N ATOM 0 H LYS A 98 -30.653 10.569 -8.110 1.00 0.00 H new ATOM 0 HA LYS A 98 -28.685 10.711 -5.903 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -30.100 12.822 -6.345 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -31.490 11.872 -5.861 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -30.855 13.000 -3.897 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -30.219 11.382 -3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -27.990 12.174 -4.517 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -28.639 13.797 -4.653 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -28.911 12.367 -2.017 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -27.335 12.989 -2.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -28.586 14.607 -1.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -28.318 15.188 -2.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -29.845 14.586 -2.331 1.00 0.00 H new ATOM 1531 N LYS A 99 -29.655 8.662 -4.939 1.00 0.00 N ATOM 1532 CA LYS A 99 -30.195 7.451 -4.332 1.00 0.00 C ATOM 1533 C LYS A 99 -29.417 7.080 -3.074 1.00 0.00 C ATOM 1534 O LYS A 99 -28.286 6.601 -3.149 1.00 0.00 O ATOM 1535 CB LYS A 99 -30.152 6.292 -5.331 1.00 0.00 C ATOM 1536 CG LYS A 99 -31.342 6.259 -6.275 1.00 0.00 C ATOM 1537 CD LYS A 99 -31.253 5.091 -7.243 1.00 0.00 C ATOM 1538 CE LYS A 99 -32.303 5.194 -8.339 1.00 0.00 C ATOM 1539 NZ LYS A 99 -33.588 4.557 -7.937 1.00 0.00 N ATOM 0 H LYS A 99 -28.663 8.818 -4.758 1.00 0.00 H new ATOM 0 HA LYS A 99 -31.231 7.645 -4.054 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -29.236 6.362 -5.917 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -30.108 5.351 -4.782 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -32.264 6.185 -5.698 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -31.390 7.193 -6.834 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -30.260 5.063 -7.691 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -31.384 4.156 -6.699 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -32.477 6.243 -8.578 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -31.930 4.718 -9.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -34.277 4.648 -8.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -33.427 3.550 -7.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -33.958 5.028 -7.086 1.00 0.00 H new ATOM 1553 N GLY A 100 -30.032 7.302 -1.916 1.00 0.00 N ATOM 1554 CA GLY A 100 -29.383 6.984 -0.658 1.00 0.00 C ATOM 1555 C GLY A 100 -29.692 7.997 0.427 1.00 0.00 C ATOM 1556 O GLY A 100 -29.511 7.723 1.613 1.00 0.00 O ATOM 0 H GLY A 100 -30.968 7.697 -1.827 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -29.701 5.995 -0.328 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -28.305 6.937 -0.811 1.00 0.00 H new ATOM 1560 N LYS A 101 -30.158 9.173 0.020 1.00 0.00 N ATOM 1561 CA LYS A 101 -30.492 10.232 0.965 1.00 0.00 C ATOM 1562 C LYS A 101 -31.994 10.268 1.232 1.00 0.00 C ATOM 1563 O LYS A 101 -32.630 11.314 1.107 1.00 0.00 O ATOM 1564 CB LYS A 101 -30.026 11.588 0.429 1.00 0.00 C ATOM 1565 CG LYS A 101 -28.528 11.806 0.548 1.00 0.00 C ATOM 1566 CD LYS A 101 -28.138 12.246 1.949 1.00 0.00 C ATOM 1567 CE LYS A 101 -26.643 12.506 2.056 1.00 0.00 C ATOM 1568 NZ LYS A 101 -26.317 13.413 3.190 1.00 0.00 N ATOM 0 H LYS A 101 -30.313 9.417 -0.958 1.00 0.00 H new ATOM 0 HA LYS A 101 -29.978 10.023 1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -30.315 11.674 -0.618 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -30.544 12.380 0.969 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -28.004 10.884 0.296 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -28.211 12.560 -0.173 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -28.685 13.151 2.213 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -28.427 11.478 2.666 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -26.118 11.559 2.186 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -26.283 12.945 1.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -25.289 13.565 3.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -26.797 14.325 3.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -26.637 12.983 4.081 1.00 0.00 H new ATOM 1582 N GLU A 102 -32.552 9.120 1.602 1.00 0.00 N ATOM 1583 CA GLU A 102 -33.979 9.022 1.887 1.00 0.00 C ATOM 1584 C GLU A 102 -34.222 8.815 3.380 1.00 0.00 C ATOM 1585 O GLU A 102 -34.447 7.694 3.833 1.00 0.00 O ATOM 1586 CB GLU A 102 -34.603 7.872 1.094 1.00 0.00 C ATOM 1587 CG GLU A 102 -34.732 8.158 -0.393 1.00 0.00 C ATOM 1588 CD GLU A 102 -33.427 7.963 -1.140 1.00 0.00 C ATOM 1589 OE1 GLU A 102 -32.945 6.813 -1.200 1.00 0.00 O ATOM 1590 OE2 GLU A 102 -32.889 8.960 -1.664 1.00 0.00 O ATOM 0 H GLU A 102 -32.039 8.245 1.711 1.00 0.00 H new ATOM 0 HA GLU A 102 -34.449 9.958 1.585 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -33.998 6.976 1.232 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -35.591 7.655 1.501 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -35.492 7.504 -0.820 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -35.077 9.182 -0.534 1.00 0.00 H new ATOM 1597 N ALA A 103 -34.174 9.906 4.138 1.00 0.00 N ATOM 1598 CA ALA A 103 -34.391 9.846 5.578 1.00 0.00 C ATOM 1599 C ALA A 103 -35.725 9.185 5.905 1.00 0.00 C ATOM 1600 O ALA A 103 -36.776 9.822 5.843 1.00 0.00 O ATOM 1601 CB ALA A 103 -34.330 11.242 6.180 1.00 0.00 C ATOM 0 H ALA A 103 -33.987 10.842 3.778 1.00 0.00 H new ATOM 0 HA ALA A 103 -33.598 9.239 6.015 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -34.494 11.182 7.256 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -33.351 11.679 5.986 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -35.102 11.866 5.730 1.00 0.00 H new ATOM 1607 N SER A 104 -35.675 7.903 6.253 1.00 0.00 N ATOM 1608 CA SER A 104 -36.881 7.154 6.586 1.00 0.00 C ATOM 1609 C SER A 104 -36.533 5.857 7.311 1.00 0.00 C ATOM 1610 O SER A 104 -35.544 5.200 6.990 1.00 0.00 O ATOM 1611 CB SER A 104 -37.680 6.843 5.319 1.00 0.00 C ATOM 1612 OG SER A 104 -38.384 7.987 4.866 1.00 0.00 O ATOM 0 H SER A 104 -34.813 7.362 6.312 1.00 0.00 H new ATOM 0 HA SER A 104 -37.489 7.769 7.249 1.00 0.00 H new ATOM 0 HB2 SER A 104 -37.006 6.494 4.537 1.00 0.00 H new ATOM 0 HB3 SER A 104 -38.383 6.035 5.518 1.00 0.00 H new ATOM 0 HG SER A 104 -38.059 8.780 5.341 1.00 0.00 H new ATOM 1618 N GLY A 105 -37.354 5.496 8.293 1.00 0.00 N ATOM 1619 CA GLY A 105 -37.117 4.281 9.049 1.00 0.00 C ATOM 1620 C GLY A 105 -38.401 3.552 9.393 1.00 0.00 C ATOM 1621 O GLY A 105 -39.054 2.961 8.533 1.00 0.00 O ATOM 0 H GLY A 105 -38.179 6.024 8.578 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -36.470 3.619 8.473 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -36.585 4.527 9.968 1.00 0.00 H new ATOM 1625 N PRO A 106 -38.780 3.587 10.679 1.00 0.00 N ATOM 1626 CA PRO A 106 -39.996 2.929 11.164 1.00 0.00 C ATOM 1627 C PRO A 106 -41.264 3.617 10.670 1.00 0.00 C ATOM 1628 O PRO A 106 -41.207 4.698 10.083 1.00 0.00 O ATOM 1629 CB PRO A 106 -39.881 3.049 12.686 1.00 0.00 C ATOM 1630 CG PRO A 106 -39.019 4.243 12.908 1.00 0.00 C ATOM 1631 CD PRO A 106 -38.050 4.273 11.759 1.00 0.00 C ATOM 0 HA PRO A 106 -40.073 1.902 10.808 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -40.860 3.176 13.148 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -39.437 2.154 13.121 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -39.616 5.155 12.939 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -38.493 4.173 13.860 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -37.788 5.294 11.481 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -37.120 3.760 12.004 1.00 0.00 H new ATOM 1639 N SER A 107 -42.408 2.985 10.913 1.00 0.00 N ATOM 1640 CA SER A 107 -43.690 3.535 10.489 1.00 0.00 C ATOM 1641 C SER A 107 -44.360 4.293 11.632 1.00 0.00 C ATOM 1642 O SER A 107 -44.914 3.690 12.551 1.00 0.00 O ATOM 1643 CB SER A 107 -44.611 2.418 9.995 1.00 0.00 C ATOM 1644 OG SER A 107 -45.699 2.943 9.254 1.00 0.00 O ATOM 0 H SER A 107 -42.473 2.092 11.401 1.00 0.00 H new ATOM 0 HA SER A 107 -43.505 4.232 9.671 1.00 0.00 H new ATOM 0 HB2 SER A 107 -44.045 1.724 9.373 1.00 0.00 H new ATOM 0 HB3 SER A 107 -44.987 1.850 10.846 1.00 0.00 H new ATOM 0 HG SER A 107 -46.271 2.209 8.948 1.00 0.00 H new ATOM 1650 N SER A 108 -44.305 5.619 11.566 1.00 0.00 N ATOM 1651 CA SER A 108 -44.903 6.461 12.596 1.00 0.00 C ATOM 1652 C SER A 108 -46.380 6.127 12.781 1.00 0.00 C ATOM 1653 O SER A 108 -46.977 5.429 11.963 1.00 0.00 O ATOM 1654 CB SER A 108 -44.744 7.939 12.233 1.00 0.00 C ATOM 1655 OG SER A 108 -43.376 8.308 12.188 1.00 0.00 O ATOM 0 H SER A 108 -43.853 6.134 10.810 1.00 0.00 H new ATOM 0 HA SER A 108 -44.384 6.267 13.535 1.00 0.00 H new ATOM 0 HB2 SER A 108 -45.208 8.131 11.266 1.00 0.00 H new ATOM 0 HB3 SER A 108 -45.266 8.555 12.965 1.00 0.00 H new ATOM 0 HG SER A 108 -43.301 9.256 11.952 1.00 0.00 H new ATOM 1661 N GLY A 109 -46.964 6.633 13.863 1.00 0.00 N ATOM 1662 CA GLY A 109 -48.366 6.378 14.137 1.00 0.00 C ATOM 1663 C GLY A 109 -49.083 7.600 14.677 1.00 0.00 C ATOM 1664 O GLY A 109 -48.493 8.674 14.789 1.00 0.00 O ATOM 0 H GLY A 109 -46.491 7.215 14.555 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -48.857 6.047 13.222 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -48.450 5.564 14.857 1.00 0.00 H new TER 1668 GLY A 109